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

Systemtic Name: 2-[3-[[(3-chlorophenyl)methyl-phenyl-amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[[N-[(3-chlorophenyl)methyl]anilino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[N-[(3-chlorophenyl)methyl]anilino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[[N-[(3-chlorophenyl)methyl]anilino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(N-(3-chlorobenzyl)anilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C34H32ClN3O2 MolecularWeight: 550.08978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CN(CC5=CC(=CC=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CN(CC5=CC(=CC=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C34H32ClN3O2/c35-28-12-8-10-25(20-28)23-37(29-13-3-1-4-14-29)22-24-9-7-11-26(19-24)33-36-31-21-27(34(39)40)17-18-32(31)38(33)30-15-5-2-6-16-30/h1,3-4,7-14,17-21,30H,2,5-6,15-16,22-23H2,(H,39,40)