methyl 5-azanyl-2-[bis(fluoranyl)methyl]-4-cyclobutyl-6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-azanyl-2-[bis(fluoranyl)methyl]-4-cyclobutyl-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 5-amino-4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-amino-4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-amino-4-cyclobutyl-2-(difluoromethyl)-6-(trifluoromethyl)nicotinic acid methyl ester Formula: C13H13F5N2O2 MolecularWeight: 324.246536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(N=C1C(F)F)C(F)(F)F)N)C2CCC2

Isomeric SMILES

COC(=O)C1=C(C(=C(N=C1C(F)F)C(F)(F)F)N)C2CCC2

InChI

InChI=1S/C13H13F5N2O2/c1-22-12(21)7-6(5-3-2-4-5)8(19)10(13(16,17)18)20-9(7)11(14)15/h5,11H,2-4,19H2,1H3