3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid Formula: C17H15I2NO5 MolecularWeight: 567.11364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C(=C2)I)O)I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C(=C2)I)O)I)C(=O)O

InChI

InChI=1S/C17H15I2NO5/c18-12-6-11(7-13(19)15(12)21)8-14(16(22)23)20-17(24)25-9-10-4-2-1-3-5-10/h1-7,14,21H,8-9H2,(H,20,24)(H,22,23)