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

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O3/c1-15-3-8-19(16(2)13-15)21(26)27-14-20(25)24-11-9-23(10-12-24)18-6-4-17(22)5-7-18/h3-8,13H,9-12,14H2,1-2H3