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

Systemtic Name: 3-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]butanoic acid Openeye Name: 3-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]butanoic acid CAS Name: 3-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]butanoic acid Traditional Name: 3-[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(CC(=O)O)NC(=O)C(C)OC1=C(C=C(C=C1)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrClNO4/c1-7(5-12(17)18)16-13(19)8(2)20-11-4-3-9(15)6-10(11)14/h3-4,6-8H,5H2,1-2H3,(H,16,19)(H,17,18)