2-acetamido-3-[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3,5-bis(iodanyl)-4-(4-methoxyphenoxy)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid CAS Name: 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propionic acid Formula: C18H17I2NO5 MolecularWeight: 581.14022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)OC)I)C(=O)O

InChI

InChI=1S/C18H17I2NO5/c1-10(22)21-16(18(23)24)9-11-7-14(19)17(15(20)8-11)26-13-5-3-12(25-2)4-6-13/h3-8,16H,9H2,1-2H3,(H,21,22)(H,23,24)