3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]propanoate

Systemtic Name: 3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]propanoate Openeye Name: 3-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]propanoate CAS Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]propanoate IUPAC Name: 3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]propanoate Traditional Name: 3-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]propionate Formula: C13H15BrNO4- MolecularWeight: 329.1665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCCC(=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCCC(=O)[O-])C)Br

InChI

InChI=1S/C13H16BrNO4/c1-8-5-10(14)6-9(2)13(8)19-7-11(16)15-4-3-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)/p-1