methyl 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(butanoylamino)propanoate

Systemtic Name: methyl 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(butanoylamino)propanoate Openeye Name: methyl 2-(butanoylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-(1-oxobutylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoate Traditional Name: 2-butyramido-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid methyl ester Formula: C14H17I2NO4 MolecularWeight: 517.09802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)OC

Isomeric SMILES

CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)OC

InChI

InChI=1S/C14H17I2NO4/c1-3-4-12(18)17-11(14(20)21-2)7-8-5-9(15)13(19)10(16)6-8/h5-6,11,19H,3-4,7H2,1-2H3,(H,17,18)