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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2/c1-2-3-13-28-20(27)15-7-4-5-10-17(15)26-18-11-12-25-19-14(18)8-6-9-16(19)21(22,23)24/h4-12H,2-3,13H2,1H3,(H,25,26)