propyl 3-dimethylphosphoryl-2-[[3-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: propyl 3-dimethylphosphoryl-2-[[3-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: propyl 3-dimethylphosphoryl-2-[[3-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 3-dimethylphosphoryl-2-[[3-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-dimethylphosphoryl-2-[[3-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 3-dimethylphosphoryl-2-[[3-(trifluoromethyl)-4-quinolyl]amino]benzoic acid propyl ester Formula: C22H22F3N2O3P MolecularWeight: 450.390651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC=C1)P(=O)(C)C)NC2=C(C=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC=C1)P(=O)(C)C)NC2=C(C=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C22H22F3N2O3P/c1-4-12-30-21(28)15-9-7-11-18(31(2,3)29)20(15)27-19-14-8-5-6-10-17(14)26-13-16(19)22(23,24)25/h5-11,13H,4,12H2,1-3H3,(H,26,27)