(4,5-dimethoxy-2-methyl-phenyl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-13-10-17(26-2)18(27-3)11-14(13)12-28-20(24)9-8-19-22-16-7-5-4-6-15(16)21(25)23-19/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23,25)