[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H17N3O5/c1-28-12-16-14-6-3-5-9-18(14)30-20(16)22(27)29-13-19-24-17-8-4-2-7-15(17)21(26)25(19)11-10-23/h2-9H,11-13H2,1H3