(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C20H17ClN2O5/c21-14-7-12-9-26-11-28-19(12)13(8-14)10-27-18(24)6-5-17-22-16-4-2-1-3-15(16)20(25)23-17/h1-4,7-8H,5-6,9-11H2,(H,22,23,25)