[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic 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)C1=CC(=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-14(2)16-11-18(15(3)4)22(28)19(12-16)24(30)31-13-21-26-20-8-6-5-7-17(20)23(29)27(21)10-9-25/h5-8,11-12,14-15,28H,10,13H2,1-4H3