2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]propanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]propanoic acid Openeye Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]propanoic acid CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]propanoic acid Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]propionic acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(C)C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(C)C(=O)O)C)Br

InChI

InChI=1S/C13H16BrNO4/c1-7-4-10(14)5-8(2)12(7)19-6-11(16)15-9(3)13(17)18/h4-5,9H,6H2,1-3H3,(H,15,16)(H,17,18)