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

Systemtic Name: 1-cyclohexyl-2-[4-[[(4-methoxyphenyl)-(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(N-benzyl-4-methoxy-anilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[(4-methoxy-N-(phenylmethyl)anilino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[(N-benzyl-4-methoxyanilino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(N-benzyl-4-methoxy-anilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C35H35N3O3 MolecularWeight: 545.6707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C35H35N3O3/c1-41-31-19-17-29(18-20-31)37(23-25-8-4-2-5-9-25)24-26-12-14-27(15-13-26)34-36-32-22-28(35(39)40)16-21-33(32)38(34)30-10-6-3-7-11-30/h2,4-5,8-9,12-22,30H,3,6-7,10-11,23-24H2,1H3,(H,39,40)