[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-quinolin-2-ylpropanoate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-quinolin-2-ylpropanoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C22H19F3N2O3 MolecularWeight: 416.39307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H19F3N2O3/c1-14(21(29)27-18-10-7-16(8-11-18)22(23,24)25)30-20(28)13-12-17-9-6-15-4-2-3-5-19(15)26-17/h2-11,14H,12-13H2,1H3,(H,27,29)