[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=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(=CC=C3)OCC(C)C

InChI

InChI=1S/C21H22N2O4/c1-13(2)12-26-16-8-6-7-15(11-16)21(25)27-14(3)19-22-18-10-5-4-9-17(18)20(24)23-19/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)/t14-/m1/s1