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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-ethoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H17N3O4/c1-2-26-15-9-7-14(8-10-15)20(25)27-13-18-22-17-6-4-3-5-16(17)19(24)23(18)12-11-21/h3-10H,2,12-13H2,1H3