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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H22N2O3/c1-15(2)19-6-4-5-7-20(19)24-22(26)16(3)27-21(25)13-12-17-8-10-18(14-23)11-9-17/h4-13,15-16H,1-3H3,(H,24,26)/b13-12+/t16-/m0/s1