[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H18F2N2O3 MolecularWeight: 336.333226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C=CC=C1F)F)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C=CC=C1F)F)C2(CCCCC2)C#N

InChI

InChI=1S/C17H18F2N2O3/c1-21(17(11-20)8-3-2-4-9-17)14(22)10-24-16(23)15-12(18)6-5-7-13(15)19/h5-7H,2-4,8-10H2,1H3