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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-3-10-18-16(20)12(2)21-15(19)9-8-13-4-6-14(11-17)7-5-13/h4-9,12H,3,10H2,1-2H3,(H,18,20)/b9-8+/t12-/m0/s1