ethanedioic acid; 2-(5-fluoranyl-1-benzofuran-7-yl)butan-1-amine

Systemtic Name: ethanedioic acid; 2-(5-fluoranyl-1-benzofuran-7-yl)butan-1-amine Openeye Name: 2-(5-fluorobenzofuran-7-yl)butan-1-amine; oxalic acid CAS Name: 2-(5-fluoro-7-benzofuranyl)-1-butanamine; oxalic acid IUPAC Name: 2-(5-fluoro-1-benzofuran-7-yl)butan-1-amine; oxalic acid Traditional Name: 2-(5-fluorobenzofuran-7-yl)butylamine; oxalic acid Formula: C14H16FNO5 MolecularWeight: 297.278943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN)C1=C2C(=CC(=C1)F)C=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CN)C1=C2C(=CC(=C1)F)C=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H14FNO.C2H2O4/c1-2-8(7-14)11-6-10(13)5-9-3-4-15-12(9)11;3-1(4)2(5)6/h3-6,8H,2,7,14H2,1H3;(H,3,4)(H,5,6)