2-[3-[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[3-[ethyl(propanoyl)amino]-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[3-[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenoxy]-2-phenylacetic acid IUPAC Name: 2-[3-[ethyl(propanoyl)amino]-2,4,6-triiodophenoxy]-2-phenylacetic acid Traditional Name: 2-[3-[ethyl(propionyl)amino]-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid Formula: C19H18I3NO4 MolecularWeight: 705.06393

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC)C1=C(C(=C(C=C1I)I)OC(C2=CC=CC=C2)C(=O)O)I

Isomeric SMILES

CCC(=O)N(CC)C1=C(C(=C(C=C1I)I)OC(C2=CC=CC=C2)C(=O)O)I

InChI

InChI=1S/C19H18I3NO4/c1-3-14(24)23(4-2)16-12(20)10-13(21)18(15(16)22)27-17(19(25)26)11-8-6-5-7-9-11/h5-10,17H,3-4H2,1-2H3,(H,25,26)