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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H17ClFNO3 MolecularWeight: 301.741083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)Cl)F

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=C(C=CC(=C1)Cl)F

InChI

InChI=1S/C14H17ClFNO3/c1-8(2)7-17-13(18)9(3)20-14(19)11-6-10(15)4-5-12(11)16/h4-6,8-9H,7H2,1-3H3,(H,17,18)/t9-/m0/s1