[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H18ClFN2O3 MolecularWeight: 352.787823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C17H18ClFN2O3/c1-11(15(22)21-17(10-20)7-3-2-4-8-17)24-16(23)13-6-5-12(18)9-14(13)19/h5-6,9,11H,2-4,7-8H2,1H3,(H,21,22)/t11-/m0/s1