3-[2-(2,6-dimethylphenoxy)ethanoylamino]propanoate

Systemtic Name: 3-[2-(2,6-dimethylphenoxy)ethanoylamino]propanoate Openeye Name: 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]propanoate CAS Name: 3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]propanoate IUPAC Name: 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]propanoate Traditional Name: 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]propionate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NCCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NCCC(=O)[O-]

InChI

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