(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic 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)CC2=NNC(=O)C3=CC=CC=C32)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C)C(C)(C)C

InChI

InChI=1S/C23H26N2O3/c1-14-10-16(23(3,4)5)11-15(2)19(14)13-28-21(26)12-20-17-8-6-7-9-18(17)22(27)25-24-20/h6-11H,12-13H2,1-5H3,(H,25,27)