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

Systemtic Name: 1-[(4-tert-butylphenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylimidazol-2-yl)-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-[1-(phenylmethyl)-2-imidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylimidazol-2-yl)-(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylimidazol-2-yl)-(4-tert-butylphenyl)methyl]isonipecotic acid Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H33N3O2/c1-27(2,3)23-11-9-21(10-12-23)24(29-16-13-22(14-17-29)26(31)32)25-28-15-18-30(25)19-20-7-5-4-6-8-20/h4-12,15,18,22,24H,13-14,16-17,19H2,1-3H3,(H,31,32)