 | | JSX | | Name: | 3-(4-hydroxyphenyl)benzoic acid | | Formula: | C13 H10 O3 | | SMILES: | OC(=O)c1cccc(c1)c2ccc(O)cc2 | | InChi: | InChI=1S/C13H10O3/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8,14H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-hydroxyphenyl)benzoic acid |
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 | | L43 | | Name: | 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid | | Formula: | C14 H10 N4 O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccc(cc2)c3[nH]nnn3 | | InChi: | InChI=1S/C14H10N4O2/c19-14(20)12-3-1-2-11(8-12)9-4-6-10(7-5-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid |
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 | | S1C | | Name: | 3-(4-acetamidophenyl)benzoic acid | | Formula: | C15 H13 N O3 | | SMILES: | CC(=O)Nc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C15H13NO3/c1-10(17)16-14-7-5-11(6-8-14)12-3-2-4-13(9-12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-acetamidophenyl)benzoic acid |
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 | | S1D | | Name: | 3-(4-fluorophenyl)benzoic acid | | Formula: | C13 H9 F O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccc(F)cc2 | | InChi: | InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-fluorophenyl)benzoic acid |
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 | | U3M | | Name: | 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid | | Formula: | C25 H16 N2 O2 | | SMILES: | OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4 | | InChi: | InChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid |
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 | | X6P | | Name: | 3-(1-methylpyrrol-2-yl)benzoic acid | | Formula: | C12 H11 N O2 | | SMILES: | Cn1cccc1c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C12H11NO2/c1-13-7-3-6-11(13)9-4-2-5-10(8-9)12(14)15/h2-8H,1H3,(H,14,15) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(1-methylpyrrol-2-yl)benzoic acid |
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 | | L5D | | Name: | 3-(3-methylphenyl)benzoic acid | | Formula: | C14 H12 O2 | | SMILES: | Cc1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(3-methylphenyl)benzoic acid |
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 | | U4J | | Name: | 3-(4-methoxyphenyl)benzoic acid | | Formula: | C14 H12 O3 | | SMILES: | COc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-methoxyphenyl)benzoic acid |
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 | | Z8R | | Name: | 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid | | Formula: | C15 H15 N O4 S | | SMILES: | C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C15H15NO4S/c1-21(19,20)16-10-11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid |
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 | | WVV | | Name: | 3-(2-fluorophenyl)benzoic acid | | Formula: | C13 H9 F O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccccc2F | | InChi: | InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-fluorophenyl)benzoic acid |
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 | | T7O | | Name: | 3-[3-(acetyloxymethyl)phenyl]benzoic acid | | Formula: | C16 H14 O4 | | SMILES: | CC(=O)OCc1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C16H14O4/c1-11(17)20-10-12-4-2-5-13(8-12)14-6-3-7-15(9-14)16(18)19/h2-9H,10H2,1H3,(H,18,19) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[3-(acetyloxymethyl)phenyl]benzoic acid |
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 | | V7V | | Name: | 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid | | Formula: | C14 H10 N4 O2 | | SMILES: | OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3 | | InChi: | InChI=1S/C14H10N4O2/c19-14(20)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid |
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 | | VBC | | Name: | 3-(4-aminophenyl)benzoic acid | | Formula: | C13 H11 N O2 | | SMILES: | Nc1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C13H11NO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,14H2,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-aminophenyl)benzoic acid |
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 | | Q2R | | Name: | 3-(2-methoxycarbonylphenyl)benzoic acid | | Formula: | C15 H12 O4 | | SMILES: | COC(=O)c1ccccc1c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C15H12O4/c1-19-15(18)13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(16)17/h2-9H,1H3,(H,16,17) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-methoxycarbonylphenyl)benzoic acid |
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 | | Q2S | | Name: | 3-(1~{H}-indol-5-yl)benzoic acid | | Formula: | C15 H11 N O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccc3[nH]ccc3c2 | | InChi: | InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(1~{H}-indol-5-yl)benzoic acid |
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 | | QIU | | Name: | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid | | Formula: | C17 H17 N O3 | | SMILES: | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C17H17NO3/c1-12(19)18-9-8-13-4-2-5-14(10-13)15-6-3-7-16(11-15)17(20)21/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid |
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 | | Q4G | | Name: | 3-(3-fluorophenyl)benzoic acid | | Formula: | C13 H9 F O2 | | SMILES: | OC(=O)c1cccc(c1)c2cccc(F)c2 | | InChi: | InChI=1S/C13H9FO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(3-fluorophenyl)benzoic acid |
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 | | QKU | | Name: | 3-[3-(hydroxymethyl)phenyl]benzoic acid | | Formula: | C14 H12 O3 | | SMILES: | OCc1cccc(c1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-8,15H,9H2,(H,16,17) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-[3-(hydroxymethyl)phenyl]benzoic acid |
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 | | TI7 | | Name: | 3-(2-methylphenyl)benzoic acid | | Formula: | C14 H12 O2 | | SMILES: | Cc1ccccc1c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H12O2/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(15)16/h2-9H,1H3,(H,15,16) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(2-methylphenyl)benzoic acid |
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 | | TVC | | Name: | 3-naphthalen-2-ylbenzoic acid | | Formula: | C17 H12 O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccc3ccccc3c2 | | InChi: | InChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-naphthalen-2-ylbenzoic acid |
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 | | TVZ | | Name: | 3-(4-aminocarbonylphenyl)benzoic acid | | Formula: | C14 H11 N O3 | | SMILES: | NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O | | InChi: | InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-(4-aminocarbonylphenyl)benzoic acid |
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 | | Q92 | | Name: | 3-quinolin-6-ylbenzoic acid | | Formula: | C16 H11 N O2 | | SMILES: | OC(=O)c1cccc(c1)c2ccc3ncccc3c2 | | InChi: | InChI=1S/C16H11NO2/c18-16(19)14-4-1-3-11(10-14)12-6-7-15-13(9-12)5-2-8-17-15/h1-10H,(H,18,19) | | Definition date: | 2017-07-27 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | 3-quinolin-6-ylbenzoic acid |
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 | | 85M | | Name: | (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol | | Formula: | C28 H31 N O4 | | SMILES: | C1CCCN1CCOc2ccc(cc2)C4Oc3c(ccc(c3)O)C(C)C4c5ccc(O)cc5 | | InChi: | InChI=1S/C28H31NO4/c1-19-25-13-10-23(31)18-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28-/m0/s1 | | Definition date: | 2017-01-05 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol |
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 | | 86V | | Name: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol | | Formula: | C29 H31 N O4 | | SMILES: | C1C(C)CCN1CCOc2ccc(cc2)C4Oc3c(ccc(c3)O)C(C)=C4c5ccc(O)cc5 | | InChi: | InChI=1S/C29H31NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-12-9-24(32)17-27(26)34-29/h3-12,17,19,29,31-32H,13-16,18H2,1-2H3/t19-,29-/m0/s1 | | Definition date: | 2017-01-09 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol |
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 | | 86Y | | Name: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol | | Formula: | C29 H31 N O4 | | SMILES: | C1N(CCC1C)CCOc2ccc(cc2)C4Oc3cc(ccc3C(=C4c5ccc(cc5)O)C)O | | InChi: | InChI=1S/C29H31NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-12-9-24(32)17-27(26)34-29/h3-12,17,19,29,31-32H,13-16,18H2,1-2H3/t19-,29+/m1/s1 | | Definition date: | 2017-01-09 | | Last modified: | 2018-01-05 | | Release date: | 2018-01-10 | | Identifier: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol |
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