3-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]propanoic acid CAS Name: 3-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]propanoic acid Traditional Name: 3-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]propionic acid Formula: C13H16BrNO6 MolecularWeight: 362.17324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCCC(=O)O)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCCC(=O)O)Br)OC)OC

InChI

InChI=1S/C13H16BrNO6/c1-19-8-6-7(13(18)15-5-4-9(16)17)10(14)12(21-3)11(8)20-2/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17)