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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-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-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-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-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H23N3O3/c1-15-6-8-17(9-7-15)12-18(13-22)20(26)27-16(2)19(25)24-21(14-23)10-4-3-5-11-21/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,24,25)/b18-12+/t16-/m1/s1