(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C(C)(C)C

InChI

InChI=1S/C23H26N2O3/c1-14-11-16(23(3,4)5)12-15(2)19(14)13-28-22(27)20-17-9-7-8-10-18(17)21(26)25(6)24-20/h7-12H,13H2,1-6H3