3-dimethylphosphorylpropyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: 3-dimethylphosphorylpropyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: 3-dimethylphosphorylpropyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid 3-dimethylphosphorylpropyl ester IUPAC Name: 3-dimethylphosphorylpropyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid 3-dimethylphosphorylpropyl ester Formula: C18H20F3N2O3P MolecularWeight: 400.331971

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CP(=O)(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H20F3N2O3P/c1-27(2,25)11-5-10-26-17(24)15-8-4-9-22-16(15)23-14-7-3-6-13(12-14)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,23)