2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H19NO7 MolecularWeight: 445.42086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CO5)O4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CO5)O4)C(=O)O

InChI

InChI=1S/C25H19NO7/c27-23(26-13-16-5-2-1-4-15(16)10-20(26)25(29)30)14-32-18-7-8-19-21(11-18)33-22(24(19)28)12-17-6-3-9-31-17/h1-9,11-12,20H,10,13-14H2,(H,29,30)