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

Systemtic Name: 2-[2-(4-bromanylphenoxy)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[2-(4-bromophenoxy)propanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-(4-bromophenoxy)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[2-(4-bromophenoxy)propanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[2-(4-bromophenoxy)propanoylamino]-3-hydroxy-propionic acid Formula: C12H14BrNO5 MolecularWeight: 332.14726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO5/c1-7(11(16)14-10(6-15)12(17)18)19-9-4-2-8(13)3-5-9/h2-5,7,10,15H,6H2,1H3,(H,14,16)(H,17,18)