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

Systemtic Name: 2-[4-[[bis(phenylmethyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[4-[(dibenzylamino)methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[bis(phenylmethyl)amino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-[(dibenzylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-[(dibenzylamino)methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C35H35N3O2 MolecularWeight: 529.6713

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=C(C=C4)CN(CC5=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(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C35H35N3O2/c39-35(40)30-20-21-33-32(22-30)36-34(38(33)31-14-8-3-9-15-31)29-18-16-28(17-19-29)25-37(23-26-10-4-1-5-11-26)24-27-12-6-2-7-13-27/h1-2,4-7,10-13,16-22,31H,3,8-9,14-15,23-25H2,(H,39,40)