2-methylpropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: isobutyl 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid isobutyl ester Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2/c1-13(2)12-28-20(27)15-6-3-4-9-17(15)26-18-10-11-25-19-14(18)7-5-8-16(19)21(22,23)24/h3-11,13H,12H2,1-2H3,(H,25,26)