[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-24(2,3)17-8-10-18(11-9-17)30-15-12-22(28)31-16-21-26-20-7-5-4-6-19(20)23(29)27(21)14-13-25/h4-11H,12,14-16H2,1-3H3