 | | 343 | | Name: | (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID | | Formula: | C30 H36 N5 O9 P | | SMILES: | O=P(O)(OC(c1cccc(NC(=[N@H])N)c1)C(=O)O)C(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccc(O)cc3)C(C)C | | InChi: | InChI=1S/C30H36N5O9P/c1-18(2)27(45(41,42)44-25(28(38)39)21-9-6-10-22(16-21)33-29(31)32)35-26(37)24(15-19-11-13-23(36)14-12-19)34-30(40)43-17-20-7-4-3-5-8-20/h3-14,16,18,24-25,27,36H,15,17H2,1-2H3,(H,34,40)(H,35,37)(H,38,39)(H,41,42)(H4,31,32,33)/t24-,25-,27+/m0/s1 | | Definition date: | 2007-04-26 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-{[(S)-[(1R)-1-({N-[(benzyloxy)carbonyl]-L-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}(3-carbamimidamidophenyl)ethanoic acid |
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 | | 348 | | Name: | 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | | Formula: | C27 H34 N4 O2 | | SMILES: | O=C3N(C(C4C1N(CCC1)C(c2ccc(C(=[N@H])N)cc2)C34)C(C)C)Cc5ccc(OC)cc5 | | InChi: | InChI=1S/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21-,22-,23-,24+,25-/m0/s1 | | Definition date: | 2006-02-17 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(1R,3aS,4R,8aS,8bR)-2-(4-methoxybenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide |
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 | | 352 | | Name: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one | | Formula: | C15 H19 F N2 O2 S | | SMILES: | O=C1N=C(SC1(C)C(O)(C)C)NC(c2ccc(F)cc2)C | | InChi: | InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1 | | Definition date: | 2008-10-24 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one |
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 | | L92 | | Name: | (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID | | Formula: | C26 H26 N2 O3 | | SMILES: | O=C(O)C(n1cccc1)Cc2ccc(cc2)CCCc3nc(oc3C)c4ccccc4 | | InChi: | InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m0/s1 | | Definition date: | 2007-06-12 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1H-pyrrol-1-yl)propanoic acid |
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 | | L9G | | Name: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide | | Formula: | C22 H18 F2 N4 O | | SMILES: | Fc1ccc(c(F)c1)CCc3ccc4nnc(c2cc(C(=O)N)ccc2C)n4c3 | | InChi: | InChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29) | | Definition date: | 2009-10-28 | | Last modified: | 2011-06-04 | | Identifier: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide |
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 | | L9M | | Name: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine | | Formula: | C20 H22 N6 S | | SMILES: | Cc1ccc(C[CH](N)CNc2sc(nn2)c3ccc4[nH]nc(C)c4c3)cc1 | | InChi: | InChI=1S/C20H22N6S/c1-12-3-5-14(6-4-12)9-16(21)11-22-20-26-25-19(27-20)15-7-8-18-17(10-15)13(2)23-24-18/h3-8,10,16H,9,11,21H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1 | | Definition date: | 2010-01-19 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-N1-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine |
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 | | L9N | | Name: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine | | Formula: | C19 H20 N6 S | | SMILES: | n1nc(sc1c3ccc2nncc2c3)NCC(N)Cc4ccc(cc4)C | | InChi: | InChI=1S/C19H20N6S/c1-12-2-4-13(5-3-12)8-16(20)11-21-19-25-24-18(26-19)14-6-7-17-15(9-14)10-22-23-17/h2-7,9-10,16H,8,11,20H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1 | | Definition date: | 2010-04-21 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine |
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 | | IFA | | Name: | METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE | | Formula: | C17 H14 F2 I N O4 | | SMILES: | Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)OC)c2O | | InChi: | InChI=1S/C17H14F2INO4/c1-25-15(22)4-5-21-17(24)12-6-9(7-14(20)16(12)23)11-3-2-10(18)8-13(11)19/h2-3,6-8,23H,4-5H2,1H3,(H,21,24) | | Definition date: | 2007-05-09 | | Last modified: | 2011-06-04 | | Identifier: | methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate |
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 | | IFB | | Name: | N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE | | Formula: | C16 H12 F2 I N O4 | | SMILES: | Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)O)c2O | | InChi: | InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22) | | Definition date: | 2007-05-09 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine |
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 | | IHG | | Name: | N-ISOPROPYL-N'-HYDROXYGUANIDINE | | Formula: | C4 H11 N3 O | | SMILES: | [N@H]=C(NC(C)C)NO | | InChi: | InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7) | | Definition date: | 2002-06-25 | | Last modified: | 2011-06-04 | | Identifier: | 1-hydroxy-3-(1-methylethyl)guanidine |
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 | | IIA | | Name: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C25 H27 Cl N4 O2 S | | SMILES: | Clc5sc(c1onc(c1)Cn4c2ccccc2cc4C(=O)NC3CCN(C(C)C)CC3)cc5 | | InChi: | InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | | Definition date: | 2005-04-11 | | Last modified: | 2011-06-04 | | Identifier: | 1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | IIE | | Name: | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C25 H29 Cl N4 O2 | | SMILES: | Clc1ccc(cc1)NC(=O)Cn2c4ccccc4cc2C(=O)NC3CCN(C(C)C)CC3 | | InChi: | InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32) | | Definition date: | 2005-04-28 | | Last modified: | 2011-06-04 | | Identifier: | 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | IIG | | Name: | N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | | Formula: | C22 H28 F3 N O3 | | SMILES: | FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C3CCC(O)(C2CC2)CC3)C4CC4)C | | InChi: | InChI=1S/C22H28F3NO3/c1-20(28,22(23,24)25)15-4-2-14(3-5-15)19(27)26(17-8-9-17)18-10-12-21(29,13-11-18)16-6-7-16/h2-5,16-18,28-29H,6-13H2,1H3/t18-,20-,21+/m0/s1 | | Definition date: | 2008-12-10 | | Last modified: | 2011-06-04 | | Identifier: | N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide |
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 | | IIP | | Name: | IMIDAZOLE-PYRROLE POLYAMIDE | | Formula: | C30 H41 N12 O5 | | SMILES: | O=C(c2nc(NC(=O)c1nccn1C)cn2C)Nc4cc(C(=O)Nc3cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c3)C)n(c4)C | | InChi: | InChI=1S/C30H40N12O5/c1-38(2)12-7-9-31-24(43)8-10-33-27(44)21-14-19(16-40(21)4)34-28(45)22-15-20(17-41(22)5)35-30(47)26-36-23(18-42(26)6)37-29(46)25-32-11-13-39(25)3/h11,13-18H,7-10,12H2,1-6H3,(H,31,43)(H,33,44)(H,34,45)(H,35,47)(H,37,46)/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium |
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 | | IM1 | | Name: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE | | Formula: | C31 H42 N4 O4 | | SMILES: | O=C(NC(c1nccn1)C(C)C)C(Cc2ccccc2)CC(O)C(NC(=O)OC(C)(C)C)Cc3ccccc3 | | InChi: | InChI=1S/C31H42N4O4/c1-21(2)27(28-32-16-17-33-28)35-29(37)24(18-22-12-8-6-9-13-22)20-26(36)25(19-23-14-10-7-11-15-23)34-30(38)39-31(3,4)5/h6-17,21,24-27,36H,18-20H2,1-5H3,(H,32,33)(H,34,38)(H,35,37)/t24-,25+,26+,27+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | tert-butyl [(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-{[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]amino}-5-oxopentyl]carbamate |
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 | | IM9 | | Name: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | | Formula: | C23 H29 N7 O2 | | SMILES: | O=C(N4CCN(c3ccc(Nc2nc(c1cnc(n1C(C)C)C)ccn2)cc3)CC4)CO | | InChi: | InChI=1S/C23H29N7O2/c1-16(2)30-17(3)25-14-21(30)20-8-9-24-23(27-20)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)22(32)15-31/h4-9,14,16,31H,10-13,15H2,1-3H3,(H,24,26,27) | | Definition date: | 2008-06-04 | | Last modified: | 2011-06-04 | | Identifier: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol |
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 | | IMO | | Name: | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | | Formula: | C10 H14 N4 O11 P2 | | SMILES: | O=P(O)(O)Oc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H14N4O11P2/c15-6-4(1-23-26(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)25-27(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 6-(phosphonooxy)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine |
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 | | INF | | Name: | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | | Formula: | C10 H12 N2 O4 | | SMILES: | O=C(O)C(NC(=O)NO)Cc1ccccc1 | | InChi: | InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1 | | Definition date: | 2000-11-17 | | Last modified: | 2011-06-04 | | Identifier: | N-(hydroxycarbamoyl)-D-phenylalanine |
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 | | ING | | Name: | D-[(AMINO)CARBONYL]PHENYLALANINE | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(O)C(NC(=O)N)Cc1ccccc1 | | InChi: | InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1 | | Definition date: | 2000-11-21 | | Last modified: | 2011-06-04 | | Identifier: | N-carbamoyl-L-phenylalanine |
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 | | INN | | Name: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide | | Formula: | C19 H37 N5 O5 | | SMILES: | O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)NCCN)C)C(C)(C)C)CC(C)C | | InChi: | InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13+,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide |
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 | | INX | | Name: | 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID | | Formula: | C30 H37 N3 O10 | | SMILES: | O=C(O)CCC(=O)NC(C(=O)NC(C(=O)NCCCCC)Cc1ccc(OCC(=O)O)c(c1)C(=O)O)Cc2ccccc2 | | InChi: | InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1 | | Definition date: | 2000-11-28 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide |
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 | | INZ | | Name: | 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID | | Formula: | C27 H33 N3 O9 | | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NCCCCC)Cc1ccc(OC(C(=O)O)C(=O)O)cc1)Cc2ccccc2 | | InChi: | InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1 | | Definition date: | 2000-11-22 | | Last modified: | 2011-06-04 | | Identifier: | {4-[(2S)-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}propanedioic acid |
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 | | IOP | | Name: | INDOLYLPROPIONIC ACID | | Formula: | C11 H11 N O2 | | SMILES: | O=C(O)CCc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(1H-indol-3-yl)propanoic acid |
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 | | IP0 | | Name: | 2-(1-methylethyl)phenol | | Formula: | C9 H12 O | | SMILES: | Oc1ccccc1C(C)C | | InChi: | InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 | | Definition date: | 2008-10-31 | | Last modified: | 2011-06-04 | | Identifier: | 2-(1-methylethyl)phenol |
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 | | IPB | | Name: | 5-METHYL-2-(1-METHYLETHYL)PHENOL | | Formula: | C10 H14 O | | SMILES: | Oc1cc(ccc1C(C)C)C | | InChi: | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 | | Definition date: | 2000-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 5-methyl-2-(1-methylethyl)phenol |
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