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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H18ClFN2O3 MolecularWeight: 352.787823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C=CC=C1Cl)F)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C=CC=C1Cl)F)C2(CCCCC2)C#N

InChI

InChI=1S/C17H18ClFN2O3/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