1-cyclohexyl-2-[3-[[phenethyl-(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[[phenethyl-(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[[benzyl(phenethyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[phenethyl-(phenylmethyl)amino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[[benzyl(phenethyl)amino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[[benzyl(phenethyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H37N3O2 MolecularWeight: 543.69788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H37N3O2/c40-36(41)31-19-20-34-33(24-31)37-35(39(34)32-17-8-3-9-18-32)30-16-10-15-29(23-30)26-38(25-28-13-6-2-7-14-28)22-21-27-11-4-1-5-12-27/h1-2,4-7,10-16,19-20,23-24,32H,3,8-9,17-18,21-22,25-26H2,(H,40,41)