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

Systemtic Name: 2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]propanoic acid Openeye Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]propanoic acid CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid Traditional Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]propionic acid Formula: C12H13BrClNO4 MolecularWeight: 350.59292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrClNO4/c1-6(12(17)18)15-11(16)7(2)19-10-4-3-8(14)5-9(10)13/h3-7H,1-2H3,(H,15,16)(H,17,18)