[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O3/c1-15-12-16(2)21(17(3)13-15)22(27)28-14-20(26)25-10-8-24(9-11-25)19-6-4-18(23)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3