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

Systemtic Name: O5-ethyl O3-[(4-methylphenyl)methyl] 2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-(p-tolylmethyl) 2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-[(4-methylphenyl)methyl] ester IUPAC Name: 5-O-ethyl 3-O-[(4-methylphenyl)methyl] 2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-(4-methylbenzyl) ester Formula: C31H27NO4 MolecularWeight: 477.55038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27NO4/c1-3-35-30(33)27-20-32-29(25-12-8-5-9-13-25)28(26(27)19-18-23-10-6-4-7-11-23)31(34)36-21-24-16-14-22(2)15-17-24/h4-17,20,26,32H,3,21H2,1-2H3