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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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