[2-(4-tert-butylphenyl)-4-oxidanylidene-quinazolin-3-yl] 2,4,5-trimethylbenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-4-oxidanylidene-quinazolin-3-yl] 2,4,5-trimethylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-4-oxo-quinazolin-3-yl] 2,4,5-trimethylbenzoate CAS Name: 2,4,5-trimethylbenzoic acid [2-(4-tert-butylphenyl)-4-oxo-3-quinazolinyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate Traditional Name: 2,4,5-trimethylbenzoic acid [2-(4-tert-butylphenyl)-4-keto-quinazolin-3-yl] ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(C)(C)C)C)C

InChI

InChI=1S/C28H28N2O3/c1-17-15-19(3)23(16-18(17)2)27(32)33-30-25(20-11-13-21(14-12-20)28(4,5)6)29-24-10-8-7-9-22(24)26(30)31/h7-16H,1-6H3