(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyric acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C24H25ClN2O7 MolecularWeight: 488.9175

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4)OC

InChI

InChI=1S/C24H25ClN2O7/c1-30-19-11-16-18(12-20(19)31-2)26-14-27(24(16)29)6-3-5-22(28)34-13-15-9-17(25)23-21(10-15)32-7-4-8-33-23/h9-12,14H,3-8,13H2,1-2H3