[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H22N2O4/c1-13(19(25)14-9-11-15(12-10-14)22(2,3)4)28-21(27)18-16-7-5-6-8-17(16)20(26)24-23-18/h5-13H,1-4H3,(H,24,26)/t13-/m1/s1