2-azanyl-3-[2-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2-iodo-phenyl]propionic acid Formula: C15H14INO4 MolecularWeight: 399.18043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC2=CC(=C(C=C2)CC(C(=O)O)N)I

Isomeric SMILES

C1=CC(=CC=C1O)OC2=CC(=C(C=C2)CC(C(=O)O)N)I

InChI

InChI=1S/C15H14INO4/c16-13-8-12(21-11-5-2-10(18)3-6-11)4-1-9(13)7-14(17)15(19)20/h1-6,8,14,18H,7,17H2,(H,19,20)