2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]propanoic acid

Systemtic Name: 2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]propanoic acid Openeye Name: 2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]propanoic acid CAS Name: 2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid Traditional Name: 2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]propionic acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C13H12BrNO4/c1-6-9-5-8(14)3-4-10(9)19-11(6)12(16)15-7(2)13(17)18/h3-5,7H,1-2H3,(H,15,16)(H,17,18)