[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H22N2O6/c1-28-18-11-10-14(12-19(18)29-2)17(25)13-30-21(26)9-5-8-20-23-16-7-4-3-6-15(16)22(27)24-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,23,24,27)