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

Systemtic Name: 2-azanyl-3-[4-(3-iodanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-dimethyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-dimethylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-dimethylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-dimethyl-phenyl]propionic acid Formula: C17H18INO4 MolecularWeight: 427.23359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)I)C)CC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)I)C)CC(C(=O)O)N

InChI

InChI=1S/C17H18INO4/c1-9-5-11(7-14(19)17(21)22)6-10(2)16(9)23-12-3-4-15(20)13(18)8-12/h3-6,8,14,20H,7,19H2,1-2H3,(H,21,22)