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

Systemtic Name: 2-[[2-(1-benzofuran-2-yl)-1-cyclohexyl-benzimidazol-5-yl]carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[[2-(benzofuran-2-yl)-1-cyclohexyl-benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[2-(2-benzofuranyl)-1-cyclohexyl-5-benzimidazolyl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[[2-(1-benzofuran-2-yl)-1-cyclohexylbenzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[[2-(benzofuran-2-yl)-1-cyclohexyl-benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C32H31N3O6 MolecularWeight: 553.60504

Click to see the large picture

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=CC5=CC=CC=C5O4)C6CCCCC6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC5=CC=CC=C5O4)C6CCCCC6)OC

InChI

InChI=1S/C32H31N3O6/c1-39-26-15-13-20(18-27(26)40-2)29(32(37)38)34-31(36)21-12-14-24-23(16-21)33-30(35(24)22-9-4-3-5-10-22)28-17-19-8-6-7-11-25(19)41-28/h6-8,11-18,22,29H,3-5,9-10H2,1-2H3,(H,34,36)(H,37,38)