3-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]butanoic acid CAS Name: 3-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]butyric acid Formula: C12H13BrClNO4 MolecularWeight: 350.59292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Br

Isomeric SMILES

CC(CC(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C12H13BrClNO4/c1-7(4-12(17)18)15-11(16)6-19-10-3-2-8(14)5-9(10)13/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18)