[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O4/c1-28-20-9-2-17(3-10-20)4-11-22(27)29-16-21(26)25-14-12-24(13-15-25)19-7-5-18(23)6-8-19/h2-3,5-10H,4,11-16H2,1H3