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

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H21N3O4/c1-14-4-6-17(7-5-14)12-18(13-23)22(28)29-15(2)21(27)25-20-10-8-19(9-11-20)24-16(3)26/h4-12,15H,1-3H3,(H,24,26)(H,25,27)/b18-12+/t15-/m1/s1