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

Systemtic Name: 2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]butanoic acid Openeye Name: 2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]butanoic acid CAS Name: 2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid Traditional Name: 2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]butyric acid Formula: C14H14BrNO4 MolecularWeight: 340.16926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C

InChI

InChI=1S/C14H14BrNO4/c1-3-10(14(18)19)16-13(17)12-7(2)9-6-8(15)4-5-11(9)20-12/h4-6,10H,3H2,1-2H3,(H,16,17)(H,18,19)