[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C18H20BrFN2O3 MolecularWeight: 411.265403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C18H20BrFN2O3/c1-12(25-17(24)14-7-6-13(20)10-15(14)19)16(23)22(2)18(11-21)8-4-3-5-9-18/h6-7,10,12H,3-5,8-9H2,1-2H3/t12-/m1/s1