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

Systemtic Name: 1-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]isonipecotic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3/c19-12-16(13-21-10-7-15(8-11-21)18(23)24)17(22)20-9-6-14-4-2-1-3-5-14/h1-5,13,15H,6-11H2,(H,20,22)(H,23,24)/b16-13+