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

Systemtic Name: 2-[[1-cyclohexyl-2-(4-methoxyphenyl)benzimidazol-5-yl]carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(4-methoxyphenyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[1-cyclohexyl-2-(4-methoxyphenyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[[1-cyclohexyl-2-(4-methoxyphenyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[[1-cyclohexyl-2-(4-methoxyphenyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C31H33N3O6 MolecularWeight: 543.61022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NC(C5=CC(=C(C=C5)OC)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NC(C5=CC(=C(C=C5)OC)OC)C(=O)O

InChI

InChI=1S/C31H33N3O6/c1-38-23-13-9-19(10-14-23)29-32-24-17-21(11-15-25(24)34(29)22-7-5-4-6-8-22)30(35)33-28(31(36)37)20-12-16-26(39-2)27(18-20)40-3/h9-18,22,28H,4-8H2,1-3H3,(H,33,35)(H,36,37)