3-[2-(3-bromanylphenoxy)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(3-bromophenoxy)acetyl]amino]propanoic acid CAS Name: 3-[[2-(3-bromophenoxy)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3-bromophenoxy)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(3-bromophenoxy)acetyl]amino]propionic acid Formula: C11H12BrNO4 MolecularWeight: 302.12128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCC(=O)NCCC(=O)O

InChI

InChI=1S/C11H12BrNO4/c12-8-2-1-3-9(6-8)17-7-10(14)13-5-4-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)