[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H20BrFN2O4/c1-27-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19(25)13-28-20(26)17-7-2-14(21)12-18(17)22/h2-7,12H,8-11,13H2,1H3