[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic 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-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C21H21F3N2O5 MolecularWeight: 438.39705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

InChI

InChI=1S/C21H21F3N2O5/c1-30-16-5-6-17(18(27)12-16)20(29)31-13-19(28)26-9-7-25(8-10-26)15-4-2-3-14(11-15)21(22,23)24/h2-6,11-12,27H,7-10,13H2,1H3