4-[(5-bromanyl-2-iodanyl-phenyl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-iodanyl-phenyl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-bromo-2-iodo-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(5-bromo-2-iodophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(5-bromo-2-iodobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(5-bromo-2-iodo-benzoyl)-methyl-amino]butyric acid Formula: C12H13BrINO3 MolecularWeight: 426.04499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrINO3/c1-15(6-2-3-11(16)17)12(18)9-7-8(13)4-5-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,16,17)