1-[2-(1-methylimidazol-4-yl)ethanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1-methylimidazol-4-yl)ethanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[2-(1-methylimidazol-4-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(1-methyl-4-imidazolyl)-1-oxoethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[2-(1-methylimidazol-4-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[2-(1-methylimidazol-4-yl)acetyl]isonipecotic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C=C(N=C1)CC(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H23N3O3/c1-21-13-16(20-14-21)11-17(23)22-9-7-19(8-10-22,18(24)25)12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,24,25)