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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-phenylpropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c21-12-13-23-18(22-17-9-5-4-8-16(17)20(23)25)14-26-19(24)11-10-15-6-2-1-3-7-15/h1-9H,10-11,13-14H2