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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(2-methylpropoxy)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-15(2)13-28-17-9-7-16(8-10-17)22(27)29-14-20-24-19-6-4-3-5-18(19)21(26)25(20)12-11-23/h3-10,15H,12-14H2,1-2H3