 | | RMZ | | Name: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one | | Formula: | C22 H27 N3 O | | SMILES: | Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2 | | InChi: | InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1 | | Synonyms: | 3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one | | Definition date: | 2020-10-09 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one |
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 | | RNW | | Name: | 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide | | Formula: | C15 H15 N O3 S | | SMILES: | ONC(=O)C[S](=O)C(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m1/s1 | | Definition date: | 2020-10-13 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 2-(diphenylmethyl)sulfinyl-~{N}-oxidanyl-ethanamide |
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 | | RQH | | Name: | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one | | Formula: | C15 H17 Cl N2 O2 | | SMILES: | CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2 | | InChi: | InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1 | | Synonyms: | Climbazole | | Definition date: | 2020-10-20 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one |
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 | | RQN | | Name: | 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide | | Formula: | C15 H13 F2 N O3 | | SMILES: | CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F | | InChi: | InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20) | | Definition date: | 2020-10-20 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide |
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 | | RQT | | Name: | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide | | Formula: | C16 H15 N3 O | | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23 | | InChi: | InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2020-10-20 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide |
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 | | RQZ | | Name: | 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide | | Formula: | C17 H16 N4 O2 | | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)=O | | InChi: | InChI=1S/C17H16N4O2/c1-2-15(22)21-12-5-3-4-10(6-12)14-9-20-17-13(14)7-11(8-19-17)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H,19,20)(H,21,22) | | Definition date: | 2020-10-20 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide |
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 | | RT2 | | Name: | Tofogliflozin | | Formula: | C22 H26 O6 | | SMILES: | CCc1ccc(Cc2ccc3CO[C]4(O[CH](CO)[CH](O)[CH](O)[CH]4O)c3c2)cc1 | | InChi: | InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+,22+/m1/s1 | | Definition date: | 2020-10-20 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (3~{S},3'~{S},4'~{S},5'~{S},6'~{R})-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1~{H}-2-benzofuran-3,2'-oxane]-3',4',5'-triol |
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 | | S1W | | Name: | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol | | Formula: | C18 H18 N4 O2 | | SMILES: | CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 | | InChi: | InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21) | | Definition date: | 2020-11-06 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol |
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 | | S7H | | Name: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione | | Formula: | C12 H17 N3 O6 | | SMILES: | C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O | | InChi: | InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1 | | Definition date: | 2020-11-10 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
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 | | S7W | | Name: | TEGAFUR | | Formula: | C8 H9 F N2 O3 | | SMILES: | FC1=CN([CH]2CCCO2)C(=O)NC1=O | | InChi: | InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 5-fluoranyl-1-[(2~{R})-oxolan-2-yl]pyrimidine-2,4-dione |
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 | | S8B | | Name: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide | | Formula: | C16 H15 N3 O | | SMILES: | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 | | InChi: | InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20) | | Definition date: | 2020-11-11 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide |
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 | | S8E | | Name: | 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine | | Formula: | C9 H19 Br N5 O4 P | | SMILES: | CCN[P](=O)(NCCBr)OCc1cnc(N(O)O)n1C | | InChi: | InChI=1S/C9H19BrN5O4P/c1-3-12-20(18,13-5-4-10)19-7-8-6-11-9(14(8)2)15(16)17/h6,16-17H,3-5,7H2,1-2H3,(H2,12,13,18)/t20-/m1/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine |
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 | | S8H | | Name: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid | | Formula: | C13 H23 N3 O6 S | | SMILES: | CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O | | InChi: | InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid |
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 | | S8T | | Name: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine | | Formula: | C17 H17 F S | | SMILES: | CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1 | | InChi: | InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3 | | Synonyms: | Isofloxythepin | | Definition date: | 2020-11-11 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine |
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 | | QY1 | | Name: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid | | Formula: | C23 H23 N O3 | | SMILES: | c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4 | | InChi: | InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 | | Definition date: | 2020-01-14 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid |
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 | | QY7 | | Name: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | | Formula: | C27 H34 Cl N O2 S | | SMILES: | c1c2c(ccc1C(C)C)n(c(c2SC(C)(C)C)CC(C(O)=O)(C)C)Cc3ccc(cc3)Cl | | InChi: | InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) | | Definition date: | 2020-01-14 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid |
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 | | QYQ | | Name: | ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide | | Formula: | C24 H27 Cl F3 N5 O4 S | | SMILES: | CO[CH](C)c1n2nc(Cl)cc2ncc1Nc3ccc(cc3)[CH](N(C)C(=O)C4CC[S](=O)(=O)CC4)C(F)(F)F | | InChi: | InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1 | | Definition date: | 2020-08-21 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide |
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 | | R6Q | | Name: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one | | Formula: | C21 H21 F3 N2 O2 | | SMILES: | FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1 | | InChi: | InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27) | | Definition date: | 2020-09-10 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one |
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 | | QJE | | Name: | 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol | | Formula: | C15 H33 N O7 | | SMILES: | NCCOCCOCCOCCOCCOCCOCCCO | | InChi: | InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2 | | Definition date: | 2020-06-18 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol |
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 | | QQD | | Name: | 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide | | Formula: | C23 H23 N3 O2 | | SMILES: | c1ncccc1C4C(C)(c2ccccc2N4Cc3ccc(cc3)C(NO)=O)C | | InChi: | InChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m1/s1 | | Definition date: | 2019-12-09 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide |
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 | | QQG | | Name: | N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide | | Formula: | C21 H25 N3 O2 | | SMILES: | C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4 | | InChi: | InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25) | | Definition date: | 2019-12-09 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide |
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 | | QTW | | Name: | [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | | Formula: | C25 H38 N6 O8 S | | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)c3ccccc3)nn2)[CH](O)[CH]1O | | InChi: | InChI=1S/C25H38N6O8S/c1-16(2)11-20(26)25(35)29-40(36,37)39-15-21-23(33)22(32)18(14-38-21)9-6-10-31-13-19(28-30-31)12-27-24(34)17-7-4-3-5-8-17/h3-5,7-8,13,16,18,20-23,32-33H,6,9-12,14-15,26H2,1-2H3,(H,27,34)(H,29,35)/t18-,20+,21-,22+,23-/m1/s1 | | Definition date: | 2020-08-10 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(benzamidomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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 | | QBW | | Name: | 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol | | Formula: | C15 H17 N O2 | | SMILES: | Oc1ccc(CCNCc2ccccc2)cc1O | | InChi: | InChI=1S/C15H17NO2/c17-14-7-6-12(10-15(14)18)8-9-16-11-13-4-2-1-3-5-13/h1-7,10,16-18H,8-9,11H2 | | Definition date: | 2020-06-03 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol |
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 | | V1M | | Name: | methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate | | Formula: | C16 H17 N O4 | | SMILES: | Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC | | InChi: | InChI=1S/C16H17NO4/c1-11-8-13(19-2)5-7-15(11)21-10-12-4-6-14(17-9-12)16(18)20-3/h4-9H,10H2,1-3H3 | | Definition date: | 2020-06-12 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate |
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 | | V2D | | Name: | methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate | | Formula: | C15 H15 N O4 | | SMILES: | Cc1c(cccc1OCc2ncccc2C(OC)=O)O | | InChi: | InChI=1S/C15H15NO4/c1-10-13(17)6-3-7-14(10)20-9-12-11(15(18)19-2)5-4-8-16-12/h3-8,17H,9H2,1-2H3 | | Definition date: | 2020-06-18 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate |
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