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

Systemtic Name: 2-azanyl-3-[4-(3,5-dimethyl-4-oxidanyl-phenoxy)-3,5-bis(iodanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3,5-dimethyl-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3,5-dimethyl-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C17H17I2NO4 MolecularWeight: 553.13012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

Isomeric SMILES

CC1=CC(=CC(=C1O)C)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I

InChI

InChI=1S/C17H17I2NO4/c1-8-3-11(4-9(2)15(8)21)24-16-12(18)5-10(6-13(16)19)7-14(20)17(22)23/h3-6,14,21H,7,20H2,1-2H3,(H,22,23)