3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-yl-ethoxy)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-yl-ethoxy)-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[1-(3-piperidyl)-2-(3-pyridyl)ethoxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[1-(3-piperidinyl)-2-(3-pyridinyl)ethoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-[1-(3-piperidyl)-2-(3-pyridyl)ethoxy]coumarilic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OC(CC3=CN=CC=C3)C4CCCNC4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OC(CC3=CN=CC=C3)C4CCCNC4)C(=O)O

InChI

InChI=1S/C22H24N2O4/c1-14-20-17(7-2-8-18(20)28-21(14)22(25)26)27-19(16-6-4-10-24-13-16)11-15-5-3-9-23-12-15/h2-3,5,7-9,12,16,19,24H,4,6,10-11,13H2,1H3,(H,25,26)