2-[3-(3-bromanylphenoxy)propanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(3-bromanylphenoxy)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-(3-bromophenoxy)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-hydroxy-propionic acid Formula: C12H14BrNO5 MolecularWeight: 332.14726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H14BrNO5/c13-8-2-1-3-9(6-8)19-5-4-11(16)14-10(7-15)12(17)18/h1-3,6,10,15H,4-5,7H2,(H,14,16)(H,17,18)