[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H21NO4/c1-4-26-20-11-7-17(8-12-20)13-19(14-23)22(25)27-16(3)21(24)18-9-5-15(2)6-10-18/h5-13,16H,4H2,1-3H3/b19-13+/t16-/m1/s1