(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic 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 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

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