3-dimethylphosphorylpropyl 4-[2-azanyl-6-(trifluoromethyl)phenyl]pyridine-3-carboxylate

Systemtic Name: 3-dimethylphosphorylpropyl 4-[2-azanyl-6-(trifluoromethyl)phenyl]pyridine-3-carboxylate Openeye Name: 3-dimethylphosphorylpropyl 4-[2-amino-6-(trifluoromethyl)phenyl]pyridine-3-carboxylate CAS Name: 4-[2-amino-6-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid 3-dimethylphosphorylpropyl ester IUPAC Name: 3-dimethylphosphorylpropyl 4-[2-amino-6-(trifluoromethyl)phenyl]pyridine-3-carboxylate Traditional Name: 4-[2-amino-6-(trifluoromethyl)phenyl]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(C=CN=C1)C2=C(C=CC=C2N)C(F)(F)F

Isomeric SMILES

CP(=O)(C)CCCOC(=O)C1=C(C=CN=C1)C2=C(C=CC=C2N)C(F)(F)F

InChI

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