4-oxidanylidene-1-phenethyl-piperidine-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-phenethyl-piperidine-3-carboxylic acid Openeye Name: 4-oxo-1-phenethyl-piperidine-3-carboxylic acid CAS Name: 4-oxo-1-phenethyl-3-piperidinecarboxylic acid IUPAC Name: 4-oxo-1-phenethylpiperidine-3-carboxylic acid Traditional Name: 4-keto-1-phenethyl-nipecotic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=O)C(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC(C1=O)C(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c16-13-7-9-15(10-12(13)14(17)18)8-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)