[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H21ClFNO3 MolecularWeight: 353.815643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H21ClFNO3/c1-12(17(22)21-11-10-13-6-3-2-4-7-13)24-18(23)16-14(19)8-5-9-15(16)20/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,21,22)/t12-/m1/s1