methyl (E,2E)-3-cyano-2-(phenylmethylidene)-4-(3,4,5-trimethoxyphenyl)but-3-enoate

Systemtic Name: methyl (E,2E)-3-cyano-2-(phenylmethylidene)-4-(3,4,5-trimethoxyphenyl)but-3-enoate Openeye Name: methyl (E,2E)-2-benzylidene-3-cyano-4-(3,4,5-trimethoxyphenyl)but-3-enoate CAS Name: (E,2E)-3-cyano-2-(phenylmethylene)-4-(3,4,5-trimethoxyphenyl)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2E)-2-benzylidene-3-cyano-4-(3,4,5-trimethoxyphenyl)but-3-enoate Traditional Name: (E,2E)-2-benzal-3-cyano-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C(=C/C2=CC=CC=C2)\C(=O)OC

InChI

InChI=1S/C22H21NO5/c1-25-19-12-16(13-20(26-2)21(19)27-3)10-17(14-23)18(22(24)28-4)11-15-8-6-5-7-9-15/h5-13H,1-4H3/b17-10-,18-11+