O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylic acid O5-benzyl ester O3-ethyl ester Formula: C31H25NO4 MolecularWeight: 475.5345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18H,3,21H2,1-2H3