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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-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-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N

InChI

InChI=1S/C18H21N3O3/c1-12(17(22)20-15-6-7-15)24-18(23)14(11-19)10-13-4-8-16(9-5-13)21(2)3/h4-5,8-10,12,15H,6-7H2,1-3H3,(H,20,22)/b14-10+/t12-/m1/s1