[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C19H19BrFNO3 MolecularWeight: 408.261463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C19H19BrFNO3/c1-2-6-17(13-7-4-3-5-8-13)22-18(23)12-25-19(24)15-11-14(20)9-10-16(15)21/h3-5,7-11,17H,2,6,12H2,1H3,(H,22,23)/t17-/m1/s1