[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3/c1-14-4-3-5-18(12-14)22-20(24)15(2)25-19(23)11-10-16-6-8-17(13-21)9-7-16/h3-12,15H,1-2H3,(H,22,24)/b11-10+/t15-/m0/s1