[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C20H19BrFNO4 MolecularWeight: 436.271563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C20H19BrFNO4/c1-13(24)23-10-2-3-14-4-6-15(7-5-14)19(25)12-27-20(26)17-9-8-16(22)11-18(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,23,24)