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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OC(CC3=CN=CC=C3)C4CCCNC4)COC5=CC6=C(C=C5)OC(=C6)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OC(CC3=CN=CC=C3)C4CCCNC4)COC5=CC6=C(C=C5)OC(=C6)C(=O)O

InChI

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