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

Systemtic Name: 4-[[3,5-bis(chloranyl)-2-iodanyl-phenyl]carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(3,5-dichloro-2-iodo-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(3,5-dichloro-2-iodophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(3,5-dichloro-2-iodobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(3,5-dichloro-2-iodo-benzoyl)-methyl-amino]butyric acid Formula: C12H12Cl2INO3 MolecularWeight: 416.03905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2INO3/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)