diethyl 2-methyl-4-(2-phenylethynyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(2-phenylethynyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(2-phenylethynyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(2-phenylethynyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(2-phenylethynyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(2-phenylethynyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC)C(F)(F)F)C

InChI

InChI=1S/C21H20F3NO4/c1-4-28-19(26)16-13(3)25-18(21(22,23)24)17(20(27)29-5-2)15(16)12-11-14-9-7-6-8-10-14/h6-10,15,25H,4-5H2,1-3H3