[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H20N2O6/c26-19(24-13-16-7-4-12-30-16)14-31-20(27)10-3-11-25-22(28)17-8-1-5-15-6-2-9-18(21(15)17)23(25)29/h1-2,4-9,12H,3,10-11,13-14H2,(H,24,26)