[1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C18H20F2N2O3 MolecularWeight: 350.359806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N2O3/c1-12(25-17(24)13-8-14(19)10-15(20)9-13)16(23)22(2)18(11-21)6-4-3-5-7-18/h8-10,12H,3-7H2,1-2H3