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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O4/c1-21(2,29-15-9-7-14(22)8-10-15)20(27)28-13-18-24-17-6-4-3-5-16(17)19(26)25(18)12-11-23/h3-10H,12-13H2,1-2H3