[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic 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] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C24H27FN2O4 MolecularWeight: 426.480583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O4/c1-15-11-16(2)23(17(3)12-15)24(30)31-14-22(29)27-9-7-26(8-10-27)21-6-5-19(18(4)28)13-20(21)25/h5-6,11-13H,7-10,14H2,1-4H3