2-(3-methylphenyl)-1-(propanoylamino)piperidine-4-carboxylic acid

Systemtic Name: 2-(3-methylphenyl)-1-(propanoylamino)piperidine-4-carboxylic acid Openeye Name: 2-(m-tolyl)-1-(propanoylamino)piperidine-4-carboxylic acid CAS Name: 2-(3-methylphenyl)-1-(1-oxopropylamino)-4-piperidinecarboxylic acid IUPAC Name: 2-(3-methylphenyl)-1-(propanoylamino)piperidine-4-carboxylic acid Traditional Name: 2-(m-tolyl)-1-propionamido-isonipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN1CCC(CC1C2=CC(=CC=C2)C)C(=O)O

Isomeric SMILES

CCC(=O)NN1CCC(CC1C2=CC(=CC=C2)C)C(=O)O

InChI

InChI=1S/C16H22N2O3/c1-3-15(19)17-18-8-7-13(16(20)21)10-14(18)12-6-4-5-11(2)9-12/h4-6,9,13-14H,3,7-8,10H2,1-2H3,(H,17,19)(H,20,21)