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

Systemtic Name: 3-[(3-bromanyl-4,5-dimethoxy-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(3-bromo-4,5-dimethoxy-benzoyl)amino]propanoic acid CAS Name: 3-[[(3-bromo-4,5-dimethoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4,5-dimethoxybenzoyl)amino]propanoic acid Traditional Name: 3-[(3-bromo-4,5-dimethoxy-benzoyl)amino]propionic acid Formula: C12H14BrNO5 MolecularWeight: 332.14726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO5/c1-18-9-6-7(5-8(13)11(9)19-2)12(17)14-4-3-10(15)16/h5-6H,3-4H2,1-2H3,(H,14,17)(H,15,16)