[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-methylbenzoate Openeye Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c1-15-5-2-3-8-18(15)20(28)29-14-19(27)26-11-9-25(10-12-26)17-7-4-6-16(13-17)21(22,23)24/h2-8,13H,9-12,14H2,1H3