4-azanyl-3-(7-ethyl-1-benzofuran-2-yl)butanoic acid

Systemtic Name: 4-azanyl-3-(7-ethyl-1-benzofuran-2-yl)butanoic acid Openeye Name: 4-amino-3-(7-ethylbenzofuran-2-yl)butanoic acid CAS Name: 4-amino-3-(7-ethyl-2-benzofuranyl)butanoic acid IUPAC Name: 4-amino-3-(7-ethyl-1-benzofuran-2-yl)butanoic acid Traditional Name: 4-amino-3-(7-ethylbenzofuran-2-yl)butyric acid Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1OC(=C2)C(CC(=O)O)CN

Isomeric SMILES

CCC1=CC=CC2=C1OC(=C2)C(CC(=O)O)CN

InChI

InChI=1S/C14H17NO3/c1-2-9-4-3-5-10-6-12(18-14(9)10)11(8-15)7-13(16)17/h3-6,11H,2,7-8,15H2,1H3,(H,16,17)