[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,5-dimethylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,5-dimethylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic 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:

CC1=CC(=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

InChI

InChI=1S/C20H17N3O3/c1-13-9-14(2)11-15(10-13)20(25)26-12-18-22-17-6-4-3-5-16(17)19(24)23(18)8-7-21/h3-6,9-11H,8,12H2,1-2H3