(4-tert-butylphenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)15-11-9-14(10-12-15)13-26-20(25)18-16-7-5-6-8-17(16)19(24)23(4)22-18/h5-12H,13H2,1-4H3