3-[2-(4-methylphenoxy)propanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-methylphenoxy)propanoylamino]propanoic acid Openeye Name: 3-[2-(4-methylphenoxy)propanoylamino]propanoic acid CAS Name: 3-[[2-(4-methylphenoxy)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-(4-methylphenoxy)propanoylamino]propanoic acid Traditional Name: 3-[2-(4-methylphenoxy)propanoylamino]propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H17NO4/c1-9-3-5-11(6-4-9)18-10(2)13(17)14-8-7-12(15)16/h3-6,10H,7-8H2,1-2H3,(H,14,17)(H,15,16)