[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H22N2O3/c1-13(2)12-15-8-10-16(11-9-15)21(25)26-14(3)19-22-18-7-5-4-6-17(18)20(24)23-19/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)/t14-/m1/s1