5-(1-benzofuran-2-ylmethoxy)-3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-yl-ethoxy)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(1-benzofuran-2-ylmethoxy)-3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-yl-ethoxy)-1-benzofuran-2-carboxylic acid Openeye Name: 5-(benzofuran-2-ylmethoxy)-3-methyl-4-[1-(3-piperidyl)-2-(3-pyridyl)ethoxy]benzofuran-2-carboxylic acid CAS Name: 5-(2-benzofuranylmethoxy)-3-methyl-4-[1-(3-piperidinyl)-2-(3-pyridinyl)ethoxy]-2-benzofurancarboxylic acid IUPAC Name: 5-(1-benzofuran-2-ylmethoxy)-3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-carboxylic acid Traditional Name: 5-(benzofuran-2-ylmethoxy)-3-methyl-4-[1-(3-piperidyl)-2-(3-pyridyl)ethoxy]coumarilic acid Formula: C31H30N2O6 MolecularWeight: 526.5797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2)OCC3=CC4=CC=CC=C4O3)OC(CC5=CN=CC=C5)C6CCCNC6)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2)OCC3=CC4=CC=CC=C4O3)OC(CC5=CN=CC=C5)C6CCCNC6)C(=O)O

InChI

InChI=1S/C31H30N2O6/c1-19-28-25(38-29(19)31(34)35)10-11-26(36-18-23-15-21-7-2-3-9-24(21)37-23)30(28)39-27(22-8-5-13-33-17-22)14-20-6-4-12-32-16-20/h2-4,6-7,9-12,15-16,22,27,33H,5,8,13-14,17-18H2,1H3,(H,34,35)