methyl 3-bromanyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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