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

Systemtic Name: O3-ethyl O5-[(3-iodanylphenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[(3-iodophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(3-iodophenyl)methyl] ester IUPAC Name: 3-O-ethyl 5-O-[(3-iodophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-iodobenzyl) ester Formula: C31H26INO4 MolecularWeight: 603.44691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H26INO4/c1-3-36-30(34)27-21(2)33-29(24-14-8-5-9-15-24)28(26(27)18-17-22-11-6-4-7-12-22)31(35)37-20-23-13-10-16-25(32)19-23/h4-16,19,26,33H,3,20H2,1-2H3