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

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-2-(propylamino)propanoic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-2-(propylamino)propanoic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-2-(propylamino)propanoic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-2-(propylamino)propanoic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-2-(propylamino)propionic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO3/c1-3-6-16-14(2,13(17)18)12-8-9-7-10(15)4-5-11(9)19-12/h4-5,7-8,16H,3,6H2,1-2H3,(H,17,18)