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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(3-ethanoylphenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(3-acetylphenoxy)acetate CAS Name: 2-(3-acetylphenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-acetylphenoxy)acetate Traditional Name: 2-(3-acetylphenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5/c1-14(25)15-5-4-6-16(11-15)28-13-20(26)29-12-19-23-18-8-3-2-7-17(18)21(27)24(19)10-9-22/h2-8,11H,10,12-13H2,1H3