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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

InChI

InChI=1S/C21H19N3O5/c1-27-17-8-7-14(11-18(17)28-2)12-20(25)29-13-19-23-16-6-4-3-5-15(16)21(26)24(19)10-9-22/h3-8,11H,10,12-13H2,1-2H3