sodium 6-(3-fluoranyl-4-methyl-phenyl)-2-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: sodium 6-(3-fluoranyl-4-methyl-phenyl)-2-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: sodium 6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-4-(trifluoromethyl)pyridine-3-carboxylate CAS Name: sodium 6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-4-(trifluoromethyl)-3-pyridinecarboxylate IUPAC Name: sodium 6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: sodium 6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-4-(trifluoromethyl)nicotinate Formula: C18H16F4NNaO2 MolecularWeight: 377.308523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C(=O)[O-])CC(C)C)F.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C(=O)[O-])CC(C)C)F.[Na+]

InChI

InChI=1S/C18H17F4NO2.Na/c1-9(2)6-15-16(17(24)25)12(18(20,21)22)8-14(23-15)11-5-4-10(3)13(19)7-11;/h4-5,7-9H,6H2,1-3H3,(H,24,25);/q;+1/p-1