[(Z)-4-[2-cyanoethanoyl-(phenylmethyl)amino]but-2-enyl] ethanoate

Systemtic Name: [(Z)-4-[2-cyanoethanoyl-(phenylmethyl)amino]but-2-enyl] ethanoate Openeye Name: [(Z)-4-[benzyl-(2-cyanoacetyl)amino]but-2-enyl] acetate CAS Name: acetic acid [(Z)-4-[(2-cyano-1-oxoethyl)-(phenylmethyl)amino]but-2-enyl] ester IUPAC Name: [(Z)-4-[benzyl-(2-cyanoacetyl)amino]but-2-enyl] acetate Traditional Name: acetic acid [(Z)-4-[benzyl-(2-cyanoacetyl)amino]but-2-enyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CCN(CC1=CC=CC=C1)C(=O)CC#N

Isomeric SMILES

CC(=O)OC/C=C\CN(CC1=CC=CC=C1)C(=O)CC#N

InChI

InChI=1S/C16H18N2O3/c1-14(19)21-12-6-5-11-18(16(20)9-10-17)13-15-7-3-2-4-8-15/h2-8H,9,11-13H2,1H3/b6-5-