4-[methyl-[2,3,5-tris(iodanyl)phenyl]carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-[2,3,5-tris(iodanyl)phenyl]carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(2,3,5-triiodobenzoyl)amino]butanoic acid CAS Name: 4-[methyl-[oxo-(2,3,5-triiodophenyl)methyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2,3,5-triiodobenzoyl)amino]butanoic acid Traditional Name: 4-[methyl-(2,3,5-triiodobenzoyl)amino]butyric acid Formula: C12H12I3NO3 MolecularWeight: 598.94199

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC(=CC(=C1I)I)I

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC(=CC(=C1I)I)I

InChI

InChI=1S/C12H12I3NO3/c1-16(4-2-3-10(17)18)12(19)8-5-7(13)6-9(14)11(8)15/h5-6H,2-4H2,1H3,(H,17,18)