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

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H20N2O3/c1-16(21(25)23-14-13-17-5-3-2-4-6-17)26-20(24)12-11-18-7-9-19(15-22)10-8-18/h2-12,16H,13-14H2,1H3,(H,23,25)/b12-11+/t16-/m0/s1