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

Systemtic Name: [2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic 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] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C25H24F3N3O3 MolecularWeight: 471.47157

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24F3N3O3/c26-25(27,28)19-5-3-6-21(16-19)30-12-14-31(15-13-30)23(32)17-34-24(33)11-10-20-9-8-18-4-1-2-7-22(18)29-20/h1-9,16H,10-15,17H2