(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(8-methyl-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)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-(8-methyl-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)propionic 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:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H19ClN2O5/c1-13-3-2-4-15-19(13)23-12-24(21(15)26)6-5-18(25)29-11-14-9-16(22)20-17(10-14)27-7-8-28-20/h2-4,9-10,12H,5-8,11H2,1H3