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

Systemtic Name: 2-[3-(3-methylphenoxy)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[3-(3-methylphenoxy)propanoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[3-(3-methylphenoxy)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[3-(3-methylphenoxy)propanoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[3-(3-methylphenoxy)propanoylamino]propionic acid Formula: C13H17NO5 MolecularWeight: 267.27778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H17NO5/c1-9-3-2-4-10(7-9)19-6-5-12(16)14-11(8-15)13(17)18/h2-4,7,11,15H,5-6,8H2,1H3,(H,14,16)(H,17,18)