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

Systemtic Name: 1-[(4-dimethylaminophenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylimidazol-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-[1-(phenylmethyl)-2-imidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylimidazol-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylimidazol-2-yl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-27(2)22-10-8-20(9-11-22)23(28-15-12-21(13-16-28)25(30)31)24-26-14-17-29(24)18-19-6-4-3-5-7-19/h3-11,14,17,21,23H,12-13,15-16,18H2,1-2H3,(H,30,31)