[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C18H17BrFNO3/c1-12(17(22)21-10-9-13-5-3-2-4-6-13)24-18(23)15-8-7-14(20)11-16(15)19/h2-8,11-12H,9-10H2,1H3,(H,21,22)