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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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