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

Systemtic Name: O5-ethyl O3-[(2-methylphenyl)methyl] 2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-(o-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-[(2-methylphenyl)methyl] ester IUPAC Name: 5-O-ethyl 3-O-[(2-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-(2-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=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CNC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3C)C4=CC=CC=C4

InChI

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