[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C21H17BrFNO3 MolecularWeight: 430.266983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H17BrFNO3/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)24-20(25)12-27-21(26)18-11-15(22)9-10-19(18)23/h2-11,13H,12H2,1H3,(H,24,25)