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

Systemtic Name: 2-[3-(2,6-dimethylphenoxy)propanoylamino]ethanoic acid Openeye Name: 2-[3-(2,6-dimethylphenoxy)propanoylamino]acetic acid CAS Name: 2-[[3-(2,6-dimethylphenoxy)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(2,6-dimethylphenoxy)propanoylamino]acetic acid Traditional Name: 2-[3-(2,6-dimethylphenoxy)propanoylamino]acetic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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