methyl 2-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H22N2O7/c1-28-17-8-4-13(10-18(17)29-2)5-9-20(25)31-12-19-23-16-11-14(22(27)30-3)6-7-15(16)21(26)24-19/h4,6-8,10-11H,5,9,12H2,1-3H3,(H,23,24,26)