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

Systemtic Name: methyl 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid methyl ester Formula: C15H19I2NO5 MolecularWeight: 547.124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19I2NO5/c1-15(2,3)23-14(21)18-11(13(20)22-4)7-8-5-9(16)12(19)10(17)6-8/h5-6,11,19H,7H2,1-4H3,(H,18,21)