methyl 2-azanyl-3-[3,5-bis(iodanyl)-4-(4-oxidanylphenoxy)phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[3,5-bis(iodanyl)-4-(4-oxidanylphenoxy)phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propionic acid methyl ester Formula: C16H15I2NO4 MolecularWeight: 539.10354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)N

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)N

InChI

InChI=1S/C16H15I2NO4/c1-22-16(21)14(19)8-9-6-12(17)15(13(18)7-9)23-11-4-2-10(20)3-5-11/h2-7,14,20H,8,19H2,1H3