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

Systemtic Name: 2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]pentanoic acid Openeye Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]pentanoic acid CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]pentanoic acid Traditional Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]valeric acid Formula: C14H17BrClNO4 MolecularWeight: 378.64608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrClNO4/c1-3-4-11(14(19)20)17-13(18)8(2)21-12-6-5-9(16)7-10(12)15/h5-8,11H,3-4H2,1-2H3,(H,17,18)(H,19,20)