[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(=CC2=CC=C(C=C2)OCC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OCC)/C#N

InChI

InChI=1S/C22H21NO4/c1-3-16-5-9-18(10-6-16)21(24)15-27-22(25)19(14-23)13-17-7-11-20(12-8-17)26-4-2/h5-13H,3-4,15H2,1-2H3/b19-13+