methyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: methyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: methyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid methyl ester Formula: C20H18F3N2O3P MolecularWeight: 422.337491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)P(=O)(C)C)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)P(=O)(C)C)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

InChI

InChI=1S/C20H18F3N2O3P/c1-28-19(26)13-7-5-9-16(29(2,3)27)18(13)25-15-10-11-24-17-12(15)6-4-8-14(17)20(21,22)23/h4-11H,1-3H3,(H,24,25)