[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14-4-10-19(26-3)18(12-14)23-21(25)15(2)27-20(24)11-9-16-5-7-17(13-22)8-6-16/h4-12,15H,1-3H3,(H,23,25)/b11-9+/t15-/m0/s1