dimethyl 2-[4-[ethanoyl-(2-iodanylphenyl)amino]but-2-ynyl]-2-(2-methylprop-2-enyl)propanedioate

Systemtic Name: dimethyl 2-[4-[ethanoyl-(2-iodanylphenyl)amino]but-2-ynyl]-2-(2-methylprop-2-enyl)propanedioate Openeye Name: dimethyl 2-[4-(N-acetyl-2-iodo-anilino)but-2-ynyl]-2-(2-methylallyl)propanedioate CAS Name: 2-[4-(N-acetyl-2-iodoanilino)but-2-ynyl]-2-(2-methylprop-2-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(N-acetyl-2-iodoanilino)but-2-ynyl]-2-(2-methylprop-2-enyl)propanedioate Traditional Name: 2-[4-(N-acetyl-2-iodo-anilino)but-2-ynyl]-2-(2-methylallyl)malonic acid dimethyl ester Formula: C21H24INO5 MolecularWeight: 497.32343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(CC#CCN(C1=CC=CC=C1I)C(=O)C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=C)CC(CC#CCN(C1=CC=CC=C1I)C(=O)C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H24INO5/c1-15(2)14-21(19(25)27-4,20(26)28-5)12-8-9-13-23(16(3)24)18-11-7-6-10-17(18)22/h6-7,10-11H,1,12-14H2,2-5H3