3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 3-methyl-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-benzyl-3-methyl-2-oxo-piperidine-3-carboxylic acid CAS Name: 3-methyl-2-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-benzyl-3-methyl-2-oxopiperidine-3-carboxylic acid Traditional Name: 1-benzyl-2-keto-3-methyl-nipecotic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(CCCN(C1=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO3/c1-14(13(17)18)8-5-9-15(12(14)16)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)