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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [(1S)-2-(isobutylamino)-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 [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-13(2)12-21-18(23)14(3)25-19(24)16(11-20)10-15-6-8-17(9-7-15)22(4)5/h6-10,13-14H,12H2,1-5H3,(H,21,23)/b16-10+/t14-/m0/s1