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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-hydroxyphenyl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C24H17N3O4 MolecularWeight: 411.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O)CC#N

InChI

InChI=1S/C24H17N3O4/c25-13-14-27-22(26-21-4-2-1-3-20(21)23(27)29)15-31-24(30)18-7-5-16(6-8-18)17-9-11-19(28)12-10-17/h1-12,28H,14-15H2