1-(6-methylpyridin-3-yl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-methylpyridin-3-yl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(6-methyl-3-pyridinyl)-oxomethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(6-methylnicotinoyl)isonipecotic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O3/c1-15-7-8-17(14-21-15)18(23)22-11-9-20(10-12-22,19(24)25)13-16-5-3-2-4-6-16/h2-8,14H,9-13H2,1H3,(H,24,25)