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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCOC1=C(C=CC=C1C)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCOC1=C(C=CC=C1C)C

InChI

InChI=1S/C15H21NO4/c1-4-12(15(18)19)16-13(17)8-9-20-14-10(2)6-5-7-11(14)3/h5-7,12H,4,8-9H2,1-3H3,(H,16,17)(H,18,19)