3-ethyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-ethyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-ethyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 3-ethyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-ethyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-ethyl-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-2-15-18-16(7-3-8-17(18)26-19(15)20(23)24)25-11-5-10-22-13-14-6-4-9-21-12-14/h3-4,6-9,12,22H,2,5,10-11,13H2,1H3,(H,23,24)