[3-[2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl] 2-bromanyl-2-methyl-butanoate

Systemtic Name: [3-[2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl] 2-bromanyl-2-methyl-butanoate Openeye Name: [3-[2-(2-methyl-4-oxo-quinazolin-3-yl)ethoxy]phenyl] 2-bromo-2-methyl-butanoate CAS Name: 2-bromo-2-methylbutanoic acid [3-[2-(2-methyl-4-oxo-3-quinazolinyl)ethoxy]phenyl] ester IUPAC Name: [3-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl] 2-bromo-2-methylbutanoate Traditional Name: 2-bromo-2-methyl-butyric acid [3-[2-(4-keto-2-methyl-quinazolin-3-yl)ethoxy]phenyl] ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OC1=CC(=CC=C1)OCCN2C(=NC3=CC=CC=C3C2=O)C)Br

Isomeric SMILES

CCC(C)(C(=O)OC1=CC(=CC=C1)OCCN2C(=NC3=CC=CC=C3C2=O)C)Br

InChI

InChI=1S/C22H23BrN2O4/c1-4-22(3,23)21(27)29-17-9-7-8-16(14-17)28-13-12-25-15(2)24-19-11-6-5-10-18(19)20(25)26/h5-11,14H,4,12-13H2,1-3H3