[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H21NO3/c1-15(2)18-8-10-19(11-9-18)21(24)14-26-22(25)20(13-23)12-17-6-4-16(3)5-7-17/h4-12,15H,14H2,1-3H3/b20-12+