[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21ClFNO3 MolecularWeight: 341.804943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C17H21ClFNO3/c1-11(16(21)20-10-12-5-3-2-4-6-12)23-17(22)14-9-13(18)7-8-15(14)19/h7-9,11-12H,2-6,10H2,1H3,(H,20,21)