3-oxidanylidene-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-3-oxo-piperidine-4-carboxylic acid CAS Name: 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-3-oxopiperidine-4-carboxylic acid Traditional Name: 1-benzyl-3-keto-isonipecotic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC(=O)C1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c15-12-9-14(7-6-11(12)13(16)17)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)