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

Systemtic Name: 1-cyclohexyl-2-[4-[[phenethyl-(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[benzyl(phenethyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[[phenethyl-(phenylmethyl)amino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[benzyl(phenethyl)amino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[[benzyl(phenethyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H37N3O2 MolecularWeight: 543.69788

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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)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=C(C=C4)CN(CCC5=CC=CC=C5)CC6=CC=CC=C6

InChI

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