1-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]isonipecotic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3/c18-10-15(12-20-8-6-14(7-9-20)17(22)23)16(21)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-9,11H2,(H,19,21)(H,22,23)/b15-12+