(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(4-oxidanylidenequinazolin-3-yl)butanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(4-oxidanylidenequinazolin-3-yl)butanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(4-oxoquinazolin-3-yl)butanoate CAS Name: 4-(4-oxo-3-quinazolinyl)butanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-ketoquinazolin-3-yl)butyric acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19ClN2O5/c22-16-10-14(11-18-20(16)28-9-8-27-18)12-29-19(25)6-3-7-24-13-23-17-5-2-1-4-15(17)21(24)26/h1-2,4-5,10-11,13H,3,6-9,12H2