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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO4/c1-7-9-6-8(14)2-3-10(9)19-12(7)13(18)15-5-4-11(16)17/h2-3,6H,4-5H2,1H3,(H,15,18)(H,16,17)