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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO4/c1-7(5-12(17)18)16-14(19)13-8(2)10-6-9(15)3-4-11(10)20-13/h3-4,6-7H,5H2,1-2H3,(H,16,19)(H,17,18)