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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-15(2)27-23(28)20-11-9-8-10-19(20)22(26-27)24(29)30-14-21-16(3)12-18(13-17(21)4)25(5,6)7/h8-13,15H,14H2,1-7H3