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

Systemtic Name: O3-ethyl O5-[(3-iodanylphenyl)methyl] 1-(ethoxymethyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[(3-iodophenyl)methyl] 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-[(3-iodophenyl)methyl] ester IUPAC Name: 3-O-ethyl 5-O-[(3-iodophenyl)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-(3-iodobenzyl) ester Formula: C34H32INO5 MolecularWeight: 661.52605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H32INO5/c1-4-39-23-36-24(3)30(33(37)40-5-2)29(20-19-25-13-8-6-9-14-25)31(32(36)27-16-10-7-11-17-27)34(38)41-22-26-15-12-18-28(35)21-26/h6-18,21,29H,4-5,22-23H2,1-3H3