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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-tert-butylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-22(2,3)16-10-8-15(9-11-16)21(27)28-14-19-24-18-7-5-4-6-17(18)20(26)25(19)13-12-23/h4-11H,13-14H2,1-3H3