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

Systemtic Name: 2-[3-(4-bromanylphenoxy)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(4-bromophenoxy)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-(4-bromophenoxy)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(4-bromophenoxy)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-(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)CCOC1=CC=C(C=C1)Br)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCOC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C13H16BrNO5/c1-8(16)12(13(18)19)15-11(17)6-7-20-10-4-2-9(14)3-5-10/h2-5,8,12,16H,6-7H2,1H3,(H,15,17)(H,18,19)