3-methyl-4-[3-(2-pyridin-3-ylethylamino)propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-[3-(2-pyridin-3-ylethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[3-[2-(3-pyridyl)ethylamino]propoxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[3-[2-(3-pyridinyl)ethylamino]propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[3-(2-pyridin-3-ylethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-[3-[2-(3-pyridyl)ethylamino]propoxy]coumarilic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-14-18-16(6-2-7-17(18)26-19(14)20(23)24)25-12-4-10-21-11-8-15-5-3-9-22-13-15/h2-3,5-7,9,13,21H,4,8,10-12H2,1H3,(H,23,24)