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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H20ClN3O3/c1-14(2)20(15-7-9-16(23)10-8-15)22(28)29-13-19-25-18-6-4-3-5-17(18)21(27)26(19)12-11-24/h3-10,14,20H,12-13H2,1-2H3/t20-/m1/s1