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

Systemtic Name: 5-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]benzofuran-2-carboxylic acid CAS Name: 5-[[3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofuranyl]methoxy]-2-benzofurancarboxylic acid IUPAC Name: 5-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]coumarilic acid Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C28H26N2O6/c1-18-26(17-34-21-8-9-22-20(13-21)14-25(35-22)28(31)32)36-24-7-2-6-23(27(18)24)33-12-4-11-30-16-19-5-3-10-29-15-19/h2-3,5-10,13-15,30H,4,11-12,16-17H2,1H3,(H,31,32)