4-azanyl-3-(5-chloranyl-1-benzofuran-2-yl)butanoic acid

Systemtic Name: 4-azanyl-3-(5-chloranyl-1-benzofuran-2-yl)butanoic acid Openeye Name: 4-amino-3-(5-chlorobenzofuran-2-yl)butanoic acid CAS Name: 4-amino-3-(5-chloro-2-benzofuranyl)butanoic acid IUPAC Name: 4-amino-3-(5-chloro-1-benzofuran-2-yl)butanoic acid Traditional Name: 4-amino-3-(5-chlorobenzofuran-2-yl)butyric acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C=C(O2)C(CC(=O)O)CN

Isomeric SMILES

C1=CC2=C(C=C1Cl)C=C(O2)C(CC(=O)O)CN

InChI

InChI=1S/C12H12ClNO3/c13-9-1-2-10-7(3-9)4-11(17-10)8(6-14)5-12(15)16/h1-4,8H,5-6,14H2,(H,15,16)