[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)C

InChI

InChI=1S/C23H19N3O4/c1-14-9-18-16(12-29-20(18)10-15(14)2)11-22(27)30-13-21-25-19-6-4-3-5-17(19)23(28)26(21)8-7-24/h3-6,9-10,12H,8,11,13H2,1-2H3