3-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-4-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]benzofuran-2-carboxylic acid CAS Name: 3-methyl-4-[[1-(3-pyridinylmethyl)-4-piperidinyl]oxy]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-[[1-(3-pyridylmethyl)-4-piperidyl]oxy]coumarilic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OC3CCN(CC3)CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OC3CCN(CC3)CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-14-19-17(5-2-6-18(19)27-20(14)21(24)25)26-16-7-10-23(11-8-16)13-15-4-3-9-22-12-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,24,25)