2-[[1-cyclohexyl-2-(3-hydroxyphenyl)benzimidazol-5-yl]carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(3-hydroxyphenyl)benzimidazol-5-yl]carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-hydroxyphenyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-hydroxyphenyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[[1-cyclohexyl-2-(3-hydroxyphenyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-hydroxyphenyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C30H31N3O6 MolecularWeight: 529.58364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC(=CC=C4)O)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC(=CC=C4)O)C5CCCCC5)OC

InChI

InChI=1S/C30H31N3O6/c1-38-25-14-12-18(17-26(25)39-2)27(30(36)37)32-29(35)20-11-13-24-23(16-20)31-28(19-7-6-10-22(34)15-19)33(24)21-8-4-3-5-9-21/h6-7,10-17,21,27,34H,3-5,8-9H2,1-2H3,(H,32,35)(H,36,37)