1-[(4-chlorophenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-chlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-chlorophenyl)methyl]isonipecotic acid Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN3O2/c28-22-12-10-20(11-13-22)25(30-16-14-21(15-17-30)27(32)33)26-29-23-8-4-5-9-24(23)31(26)18-19-6-2-1-3-7-19/h1-13,21,25H,14-18H2,(H,32,33)