O7-ethyl O1-methyl (2Z,4E)-6-cyano-2,5-dimethyl-6-(phenylmethyl)hepta-2,4-dienedioate

Systemtic Name: O7-ethyl O1-methyl (2Z,4E)-6-cyano-2,5-dimethyl-6-(phenylmethyl)hepta-2,4-dienedioate Openeye Name: O7-ethyl O1-methyl (2Z,4E)-6-benzyl-6-cyano-2,5-dimethyl-hepta-2,4-dienedioate CAS Name: (2Z,4E)-6-cyano-2,5-dimethyl-6-(phenylmethyl)hepta-2,4-dienedioic acid O7-ethyl ester O1-methyl ester IUPAC Name: 7-O-ethyl 1-O-methyl (2Z,4E)-6-benzyl-6-cyano-2,5-dimethylhepta-2,4-dienedioate Traditional Name: (2Z,4E)-6-benzyl-6-cyano-2,5-dimethyl-hepta-2,4-dienedioic acid O7-ethyl ester O1-methyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)(C#N)C(=CC=C(C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-5-25-19(23)20(14-21,13-17-9-7-6-8-10-17)16(3)12-11-15(2)18(22)24-4/h6-12H,5,13H2,1-4H3/b15-11-,16-12+