2-[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoic acid

Systemtic Name: 2-[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoic acid Openeye Name: 2-[(3-carbamoyl-2,4,6-triiodo-phenyl)methyl]butanoic acid CAS Name: 2-[(3-carbamoyl-2,4,6-triiodophenyl)methyl]butanoic acid IUPAC Name: 2-[(3-carbamoyl-2,4,6-triiodophenyl)methyl]butanoic acid Traditional Name: 2-(3-carbamoyl-2,4,6-triiodo-benzyl)butyric acid Formula: C12H12I3NO3 MolecularWeight: 598.94199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=C(C(=C1I)C(=O)N)I)I)C(=O)O

Isomeric SMILES

CCC(CC1=C(C=C(C(=C1I)C(=O)N)I)I)C(=O)O

InChI

InChI=1S/C12H12I3NO3/c1-2-5(12(18)19)3-6-7(13)4-8(14)9(10(6)15)11(16)17/h4-5H,2-3H2,1H3,(H2,16,17)(H,18,19)