[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-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)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23BrN2O3 MolecularWeight: 419.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-14-6-7-16(17(21)12-14)8-9-18(24)26-15(2)19(25)23-20(13-22)10-4-3-5-11-20/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,23,25)/b9-8+/t15-/m1/s1