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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C28H28N2O3/c1-18-15-20(28(3,4)5)16-19(2)24(18)17-33-27(32)25-22-13-9-10-14-23(22)26(31)30(29-25)21-11-7-6-8-12-21/h6-16H,17H2,1-5H3