[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic 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] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C21H19ClF2N2O4 MolecularWeight: 436.836366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF2N2O4/c1-13(27)14-2-5-19(18(24)10-14)25-6-8-26(9-7-25)20(28)12-30-21(29)16-11-15(22)3-4-17(16)23/h2-5,10-11H,6-9,12H2,1H3