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

Systemtic Name: 2-azanyl-3-[3,5-bis(iodanyl)-4-(4-oxidanyl-3-phenethyl-phenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-phenethyl-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-phenethylphenoxy)-3,5-diiodophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-phenethylphenoxy)-3,5-diiodophenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-phenethyl-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C23H21I2NO4 MolecularWeight: 629.22608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC(=C2)OC3=C(C=C(C=C3I)CC(C(=O)O)N)I)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC(=C2)OC3=C(C=C(C=C3I)CC(C(=O)O)N)I)O

InChI

InChI=1S/C23H21I2NO4/c24-18-10-15(12-20(26)23(28)29)11-19(25)22(18)30-17-8-9-21(27)16(13-17)7-6-14-4-2-1-3-5-14/h1-5,8-11,13,20,27H,6-7,12,26H2,(H,28,29)