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

Systemtic Name: 4-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]butanoic acid Openeye Name: 4-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]butanoic acid CAS Name: 4-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]butanoic acid Traditional Name: 4-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]butyric acid Formula: C13H15BrClNO4 MolecularWeight: 364.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)O)OC1=C(C=C(C=C1)Cl)Br

Isomeric SMILES

CC(C(=O)NCCCC(=O)O)OC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C13H15BrClNO4/c1-8(13(19)16-6-2-3-12(17)18)20-11-5-4-9(15)7-10(11)14/h4-5,7-8H,2-3,6H2,1H3,(H,16,19)(H,17,18)