diethyl 2-[(2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienyl]-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[(2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienyl]-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[(2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienyl]propanedioate CAS Name: 2-[(2Z,4E)-2-cyano-5-phenylpenta-2,4-dienyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2Z,4E)-2-cyano-5-phenylpenta-2,4-dienyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[(2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienyl]malonic acid diethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(CC=C)(C/C(=C/C=C/C1=CC=CC=C1)/C#N)C(=O)OCC

InChI

InChI=1S/C22H25NO4/c1-4-15-22(20(24)26-5-2,21(25)27-6-3)16-19(17-23)14-10-13-18-11-8-7-9-12-18/h4,7-14H,1,5-6,15-16H2,2-3H3/b13-10+,19-14-