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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-4-10-20-17(21)13(3)24-18(22)15(12-19)11-14-6-8-16(9-7-14)23-5-2/h6-9,11,13H,4-5,10H2,1-3H3,(H,20,21)/b15-11+/t13-/m0/s1