[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methyl-2-phenyl-propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methyl-2-phenyl-propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-21(2,15-8-4-3-5-9-15)20(26)27-14-18-23-17-11-7-6-10-16(17)19(25)24(18)13-12-22/h3-11H,13-14H2,1-2H3