3-methyl-4-[3-(pyridin-3-ylmethylamino)butoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-[3-(pyridin-3-ylmethylamino)butoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[3-(3-pyridylmethylamino)butoxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[3-(3-pyridinylmethylamino)butoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[3-(pyridin-3-ylmethylamino)butoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-[3-(3-pyridylmethylamino)butoxy]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)OCCC(C)NCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCC(C)NCC3=CN=CC=C3)C(=O)O

InChI

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