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

Systemtic Name: [(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methylanilino)-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-(m-toluidino)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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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)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C22H22N2O4/c1-4-27-20-10-8-17(9-11-20)13-18(14-23)22(26)28-16(3)21(25)24-19-7-5-6-15(2)12-19/h5-13,16H,4H2,1-3H3,(H,24,25)/b18-13+/t16-/m1/s1