7-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 7-[[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]benzofuran-2-carboxylic acid CAS Name: 7-[[3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofuranyl]methoxy]-2-benzofurancarboxylic acid IUPAC Name: 7-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 7-[[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=CC=CC5=C4OC(=C5)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=CC=CC5=C4OC(=C5)C(=O)O

InChI

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