methyl 4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethoxy]benzoic acid methyl ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O4/c1-29-20(28)15-5-7-18(8-6-15)30-14-19(27)26-11-9-25(10-12-26)17-4-2-3-16(13-17)21(22,23)24/h2-8,13H,9-12,14H2,1H3