1-cyclohexyl-2-[4-[phenethyl-(phenylmethyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[phenethyl-(phenylmethyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[benzyl(phenethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[oxo-[phenethyl-(phenylmethyl)amino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[benzyl(phenethyl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[benzyl(phenethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H35N3O3 MolecularWeight: 557.6814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)N(CCC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)N(CCC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C36H35N3O3/c40-35(38(25-27-12-6-2-7-13-27)23-22-26-10-4-1-5-11-26)29-18-16-28(17-19-29)34-37-32-24-30(36(41)42)20-21-33(32)39(34)31-14-8-3-9-15-31/h1-2,4-7,10-13,16-21,24,31H,3,8-9,14-15,22-23,25H2,(H,41,42)