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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylamino)-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-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11(2)18-16(20)12(3)21-15(19)9-8-13-4-6-14(10-17)7-5-13/h4-9,11-12H,1-3H3,(H,18,20)/b9-8+/t12-/m0/s1