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

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

C1=CC(=C(C=C1Cl)Br)OCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Br)OCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H13BrClNO4/c13-9-6-8(14)3-4-10(9)19-7-11(16)15-5-1-2-12(17)18/h3-4,6H,1-2,5,7H2,(H,15,16)(H,17,18)