(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(8-methyl-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H17ClN2O5/c1-12-3-2-4-14-18(12)22-10-23(20(14)25)6-5-17(24)26-9-13-7-15(21)19-16(8-13)27-11-28-19/h2-4,7-8,10H,5-6,9,11H2,1H3