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

Systemtic Name: 2-[[1-cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazol-5-yl]carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[1-cyclohexyl-2-(1-methyl-2-pyrrolyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[[1-cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[[1-cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C29H32N4O5 MolecularWeight: 516.58818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NC(C5=CC(=C(C=C5)OC)OC)C(=O)O

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NC(C5=CC(=C(C=C5)OC)OC)C(=O)O

InChI

InChI=1S/C29H32N4O5/c1-32-15-7-10-23(32)27-30-21-16-19(11-13-22(21)33(27)20-8-5-4-6-9-20)28(34)31-26(29(35)36)18-12-14-24(37-2)25(17-18)38-3/h7,10-17,20,26H,4-6,8-9H2,1-3H3,(H,31,34)(H,35,36)