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

Systemtic Name: 1-[(4-tert-butylphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-tert-butylphenyl)methyl]isonipecotic acid Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C31H35N3O2/c1-31(2,3)25-15-13-23(14-16-25)28(33-19-17-24(18-20-33)30(35)36)29-32-26-11-7-8-12-27(26)34(29)21-22-9-5-4-6-10-22/h4-16,24,28H,17-21H2,1-3H3,(H,35,36)