[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C23H25FN2O4/c1-3-17-4-6-18(7-5-17)23(29)30-15-22(28)26-12-10-25(11-13-26)21-9-8-19(16(2)27)14-20(21)24/h4-9,14H,3,10-13,15H2,1-2H3