(phenylmethyl) (E)-2-cyano-2-(3-oxidanylidenepropyl)hex-3-enoate

Systemtic Name: (phenylmethyl) (E)-2-cyano-2-(3-oxidanylidenepropyl)hex-3-enoate Openeye Name: benzyl (E)-2-cyano-2-(3-oxopropyl)hex-3-enoate CAS Name: (E)-2-cyano-2-(3-oxopropyl)-3-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-cyano-2-(3-oxopropyl)hex-3-enoate Traditional Name: (E)-2-cyano-2-(3-ketopropyl)hex-3-enoic acid benzyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(CCC=O)(C#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC/C=C/C(CCC=O)(C#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H19NO3/c1-2-3-10-17(14-18,11-7-12-19)16(20)21-13-15-8-5-4-6-9-15/h3-6,8-10,12H,2,7,11,13H2,1H3/b10-3+