(phenylmethyl) (2E,4E)-2-cyano-5-(3,5-dimethoxy-4-oxidanyl-phenyl)penta-2,4-dienoate

Systemtic Name: (phenylmethyl) (2E,4E)-2-cyano-5-(3,5-dimethoxy-4-oxidanyl-phenyl)penta-2,4-dienoate Openeye Name: benzyl (2E,4E)-2-cyano-5-(4-hydroxy-3,5-dimethoxy-phenyl)penta-2,4-dienoate CAS Name: (2E,4E)-2-cyano-5-(4-hydroxy-3,5-dimethoxyphenyl)penta-2,4-dienoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E,4E)-2-cyano-5-(4-hydroxy-3,5-dimethoxyphenyl)penta-2,4-dienoate Traditional Name: (2E,4E)-2-cyano-5-(4-hydroxy-3,5-dimethoxy-phenyl)penta-2,4-dienoic acid benzyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC=C(C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C=C(\C#N)/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H19NO5/c1-25-18-11-16(12-19(26-2)20(18)23)9-6-10-17(13-22)21(24)27-14-15-7-4-3-5-8-15/h3-12,23H,14H2,1-2H3/b9-6+,17-10+