[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C22H23FN2O5 MolecularWeight: 414.426823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)O

InChI

InChI=1S/C22H23FN2O5/c1-14-3-4-17(12-20(14)27)22(29)30-13-21(28)25-9-7-24(8-10-25)19-6-5-16(15(2)26)11-18(19)23/h3-6,11-12,27H,7-10,13H2,1-2H3