[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H14BrF2NO3 MolecularWeight: 398.198766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=CC(=C2)Br)F)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=CC(=C2)Br)F)F

InChI

InChI=1S/C17H14BrF2NO3/c18-12-3-6-15(20)14(9-12)17(23)24-10-16(22)21-8-7-11-1-4-13(19)5-2-11/h1-6,9H,7-8,10H2,(H,21,22)