1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-cyanoanilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-cyanoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-cyanoanilino)-2-keto-ethyl]isonipecotic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H17N3O3/c16-9-11-2-1-3-13(8-11)17-14(19)10-18-6-4-12(5-7-18)15(20)21/h1-3,8,12H,4-7,10H2,(H,17,19)(H,20,21)