methyl 2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: methyl 2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl 2-[(2-iodophenyl)methyl]-4-oxo-4-phenyl-butanoate CAS Name: 2-[(2-iodophenyl)methyl]-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-iodophenyl)methyl]-4-oxo-4-phenylbutanoate Traditional Name: 2-(2-iodobenzyl)-4-keto-4-phenyl-butyric acid methyl ester Formula: C18H17IO3 MolecularWeight: 408.23025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1I)CC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1I)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17IO3/c1-22-18(21)15(11-14-9-5-6-10-16(14)19)12-17(20)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3