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

Systemtic Name: 5-[[3-cyclopropyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[[3-cyclopropyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]benzofuran-2-carboxylic acid CAS Name: 5-[[3-cyclopropyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofuranyl]methoxy]-2-benzofurancarboxylic acid IUPAC Name: 5-[[3-cyclopropyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[[3-cyclopropyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]coumarilic acid Formula: C30H28N2O6 MolecularWeight: 512.55312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(OC3=C2C(=CC=C3)OCCCNCC4=CN=CC=C4)COC5=CC6=C(C=C5)OC(=C6)C(=O)O

Isomeric SMILES

C1CC1C2=C(OC3=C2C(=CC=C3)OCCCNCC4=CN=CC=C4)COC5=CC6=C(C=C5)OC(=C6)C(=O)O

InChI

InChI=1S/C30H28N2O6/c33-30(34)26-15-21-14-22(9-10-23(21)37-26)36-18-27-28(20-7-8-20)29-24(5-1-6-25(29)38-27)35-13-3-12-32-17-19-4-2-11-31-16-19/h1-2,4-6,9-11,14-16,20,32H,3,7-8,12-13,17-18H2,(H,33,34)