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

Systemtic Name: (4-tert-butylphenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-20(2,3)14-10-8-13(9-11-14)12-25-19(24)17-15-6-4-5-7-16(15)18(23)22-21-17/h4-11H,12H2,1-3H3,(H,22,23)