[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H22BrFN2O4 MolecularWeight: 465.312783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrFN2O4/c1-15(29-19-8-2-16(22)3-9-19)21(27)28-14-20(26)25-12-10-24(11-13-25)18-6-4-17(23)5-7-18/h2-9,15H,10-14H2,1H3