O3-ethyl O5-[(4-methylphenyl)methyl] 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-[(4-methylphenyl)methyl] 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(p-tolylmethyl) 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-methylphenyl)methyl] ester IUPAC Name: 3-O-ethyl 5-O-[(4-methylphenyl)methyl] 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(4-methylbenzyl) ester Formula: C35H35NO5 MolecularWeight: 549.6561

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C)C#CC4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C)C#CC4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C35H35NO5/c1-5-39-24-36-26(4)31(34(37)40-6-2)30(22-21-27-13-9-7-10-14-27)32(33(36)29-15-11-8-12-16-29)35(38)41-23-28-19-17-25(3)18-20-28/h7-20,30H,5-6,23-24H2,1-4H3