2-[2-(4-bromanylphenoxy)propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(4-bromanylphenoxy)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[2-(4-bromophenoxy)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-(4-bromophenoxy)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[2-(4-bromophenoxy)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[2-(4-bromophenoxy)propanoylamino]-3-hydroxy-butyric acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5/c1-7(16)11(13(18)19)15-12(17)8(2)20-10-5-3-9(14)4-6-10/h3-8,11,16H,1-2H3,(H,15,17)(H,18,19)