[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4/c1-25(2,3)18-10-8-17(9-11-18)21(29)12-13-23(30)32-16-22-27-20-7-5-4-6-19(20)24(31)28(22)15-14-26/h4-11H,12-13,15-16H2,1-3H3