2-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H27N5O3/c35-28(30-17-26-31-22-11-4-5-12-23(22)32-26)19-8-6-7-18(15-19)27-33-24-16-20(29(36)37)13-14-25(24)34(27)21-9-2-1-3-10-21/h4-8,11-16,21H,1-3,9-10,17H2,(H,30,35)(H,31,32)(H,36,37)