(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17BrN2O5/c21-15-10-18-17(26-7-8-27-18)9-13(15)11-28-19(24)5-6-23-12-22-16-4-2-1-3-14(16)20(23)25/h1-4,9-10,12H,5-8,11H2