[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-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=CC(=C2)F)Br

Isomeric SMILES

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

InChI

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