diethyl 4-pyridin-4-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-pyridin-4-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(4-pyridyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-pyridin-4-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-pyridin-4-yl-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(4-pyridyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C18H16F6N2O4 MolecularWeight: 438.321059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C(=O)OCC)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C(=O)OCC)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H16F6N2O4/c1-3-29-15(27)11-10(9-5-7-25-8-6-9)12(16(28)30-4-2)14(18(22,23)24)26-13(11)17(19,20)21/h5-8,10,26H,3-4H2,1-2H3