2-(cyclopropylmethylamino)-6-(3-fluoranyl-4-methyl-phenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(cyclopropylmethylamino)-6-(3-fluoranyl-4-methyl-phenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methyl-phenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 2-(cyclopropylmethylamino)-6-(3-fluoro-4-methyl-phenyl)-4-(trifluoromethyl)nicotinic acid Formula: C18H16F4N2O2 MolecularWeight: 368.325453

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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)NCC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C(=O)O)NCC3CC3)F

InChI

InChI=1S/C18H16F4N2O2/c1-9-2-5-11(6-13(9)19)14-7-12(18(20,21)22)15(17(25)26)16(24-14)23-8-10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,23,24)(H,25,26)