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

Systemtic Name: 1-[(4-acetamidophenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1-benzylimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-[1-(phenylmethyl)-2-imidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1-benzylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1-benzylimidazol-2-yl)methyl]isonipecotic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H28N4O3/c1-18(30)27-22-9-7-20(8-10-22)23(28-14-11-21(12-15-28)25(31)32)24-26-13-16-29(24)17-19-5-3-2-4-6-19/h2-10,13,16,21,23H,11-12,14-15,17H2,1H3,(H,27,30)(H,31,32)