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

Systemtic Name: 3-cyclopropyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-cyclopropyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 3-cyclopropyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-cyclopropyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-cyclopropyl-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(OC3=C2C(=CC=C3)OCCCNCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1CC1C2=C(OC3=C2C(=CC=C3)OCCCNCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O4/c24-21(25)20-18(15-7-8-15)19-16(5-1-6-17(19)27-20)26-11-3-10-23-13-14-4-2-9-22-12-14/h1-2,4-6,9,12,15,23H,3,7-8,10-11,13H2,(H,24,25)