O3-ethyl O5-[[4-(trifluoromethyl)phenyl]methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-[[4-(trifluoromethyl)phenyl]methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[[4-(trifluoromethyl)phenyl]methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[[4-(trifluoromethyl)phenyl]methyl] ester IUPAC Name: 3-O-ethyl 5-O-[[4-(trifluoromethyl)phenyl]methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[4-(trifluoromethyl)benzyl] ester Formula: C32H26F3NO4 MolecularWeight: 545.54835

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4)C

InChI

InChI=1S/C32H26F3NO4/c1-3-39-30(37)27-21(2)36-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(38)40-20-23-14-17-25(18-15-23)32(33,34)35/h4-15,17-18,26,36H,3,20H2,1-2H3