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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3,4-dimethoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c1-26-16-8-7-13(11-17(16)27-2)20(25)28-12-18-22-15-6-4-3-5-14(15)19(24)23(18)10-9-21/h3-8,11H,10,12H2,1-2H3