diethyl 2-acetamido-2-[[2-(2-iodanylethyl)-5-methyl-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[2-(2-iodanylethyl)-5-methyl-phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[2-(2-iodoethyl)-5-methyl-phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(2-iodoethyl)-5-methylphenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[2-(2-iodoethyl)-5-methylphenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-iodoethyl)-5-methyl-benzyl]malonic acid diethyl ester Formula: C19H26INO5 MolecularWeight: 475.31791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)C)CCI)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)C)CCI)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C19H26INO5/c1-5-25-17(23)19(21-14(4)22,18(24)26-6-2)12-16-11-13(3)7-8-15(16)9-10-20/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,22)