[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2CC2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2CC2

InChI

InChI=1S/C17H18N2O3/c1-11-3-5-13(6-4-11)9-14(10-18)17(21)22-12(2)16(20)19-15-7-8-15/h3-6,9,12,15H,7-8H2,1-2H3,(H,19,20)/b14-9+/t12-/m1/s1