(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C27H21NO7 MolecularWeight: 471.45814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H21NO7/c1-33-18-10-11-19-17(13-24(30)35-22(19)14-18)15-34-23(29)9-4-12-28-26(31)20-7-2-5-16-6-3-8-21(25(16)20)27(28)32/h2-3,5-8,10-11,13-14H,4,9,12,15H2,1H3