1,4-diethyl-4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 1,4-diethyl-4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid Openeye Name: 1,4-diethyl-4-isobutyl-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid CAS Name: 1,4-diethyl-4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 1,4-diethyl-4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid Traditional Name: 1,4-diethyl-4-isobutyl-2,6-bis(trifluoromethyl)dinicotinic acid Formula: C17H21F6NO4 MolecularWeight: 417.343359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(N(C(=C1C(=O)O)C(F)(F)F)CC)C(F)(F)F)C(=O)O)CC(C)C

Isomeric SMILES

CCC1(C(=C(N(C(=C1C(=O)O)C(F)(F)F)CC)C(F)(F)F)C(=O)O)CC(C)C

InChI

InChI=1S/C17H21F6NO4/c1-5-15(7-8(3)4)9(13(25)26)11(16(18,19)20)24(6-2)12(17(21,22)23)10(15)14(27)28/h8H,5-7H2,1-4H3,(H,25,26)(H,27,28)