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

Systemtic Name: 3-[1-(5-bromanyl-1-benzofuran-2-yl)ethylamino]propanoic acid Openeye Name: 3-[1-(5-bromobenzofuran-2-yl)ethylamino]propanoic acid CAS Name: 3-[1-(5-bromo-2-benzofuranyl)ethylamino]propanoic acid IUPAC Name: 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]propanoic acid Traditional Name: 3-[1-(5-bromobenzofuran-2-yl)ethylamino]propionic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(O1)C=CC(=C2)Br)NCCC(=O)O

Isomeric SMILES

CC(C1=CC2=C(O1)C=CC(=C2)Br)NCCC(=O)O

InChI

InChI=1S/C13H14BrNO3/c1-8(15-5-4-13(16)17)12-7-9-6-10(14)2-3-11(9)18-12/h2-3,6-8,15H,4-5H2,1H3,(H,16,17)