[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C23H21N3O4/c1-15-7-8-16(2)18(13-15)20(27)9-10-22(28)30-14-21-25-19-6-4-3-5-17(19)23(29)26(21)12-11-24/h3-8,13H,9-10,12,14H2,1-2H3