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

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C18H17BrFNO4 MolecularWeight: 410.234283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H17BrFNO4/c1-11(25-18(23)14-8-7-13(19)9-15(14)20)17(22)21-10-12-5-3-4-6-16(12)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m0/s1