[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (3R)-3-phenylbutanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (3R)-3-phenylbutanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric 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(CC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-15(16-7-3-2-4-8-16)13-20(25)27-14-19-23-18-10-6-5-9-17(18)21(26)24(19)12-11-22/h2-10,15H,12-14H2,1H3/t15-/m1/s1