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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO3/c1-3-15-13(2,12(16)17)11-7-8-6-9(14)4-5-10(8)18-11/h4-7,15H,3H2,1-2H3,(H,16,17)