[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C13H15BrFNO3 MolecularWeight: 332.165503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)F

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C13H15BrFNO3/c1-3-8(2)16-12(17)7-19-13(18)10-6-9(14)4-5-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,16,17)/t8-/m0/s1