3-[3-(2,6-dimethylphenoxy)propanoylamino]butanoic acid

Systemtic Name: 3-[3-(2,6-dimethylphenoxy)propanoylamino]butanoic acid Openeye Name: 3-[3-(2,6-dimethylphenoxy)propanoylamino]butanoic acid CAS Name: 3-[[3-(2,6-dimethylphenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(2,6-dimethylphenoxy)propanoylamino]butanoic acid Traditional Name: 3-[3-(2,6-dimethylphenoxy)propanoylamino]butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-10-5-4-6-11(2)15(10)20-8-7-13(17)16-12(3)9-14(18)19/h4-6,12H,7-9H2,1-3H3,(H,16,17)(H,18,19)