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

Systemtic Name: 1-[(4-tert-butylphenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(1-methyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(1-methylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H31N3O2/c1-25(2,3)19-11-9-17(10-12-19)22(28-15-13-18(14-16-28)24(29)30)23-26-20-7-5-6-8-21(20)27(23)4/h5-12,18,22H,13-16H2,1-4H3,(H,29,30)