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

Systemtic Name: propyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: propyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 3-dimethylphosphoryl-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid propyl ester Formula: C22H22F3N2O3P MolecularWeight: 450.390651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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