1-[(3,4-dimethoxyphenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-[1-(phenylmethyl)imidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylimidazol-2-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-[1-(phenylmethyl)-2-imidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylimidazol-2-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylimidazol-2-yl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CN2CC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C25H29N3O4/c1-31-21-9-8-20(16-22(21)32-2)23(27-13-10-19(11-14-27)25(29)30)24-26-12-15-28(24)17-18-6-4-3-5-7-18/h3-9,12,15-16,19,23H,10-11,13-14,17H2,1-2H3,(H,29,30)