[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H14BrF2NO3 MolecularWeight: 398.198766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H14BrF2NO3/c1-10(16(22)21-9-11-2-5-13(19)6-3-11)24-17(23)14-7-4-12(18)8-15(14)20/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1