[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OCC)OCC

InChI

InChI=1S/C28H28N2O6/c1-4-7-14-35-24-11-8-20(9-12-24)15-23(19-30)28(32)36-25-13-10-21(17-26(25)33-5-2)16-22(18-29)27(31)34-6-3/h8-13,15-17H,4-7,14H2,1-3H3/b22-16+,23-15+