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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C)C(C)(C)C

InChI

InChI=1S/C23H26N2O4/c1-14-10-16(23(3,4)5)11-15(2)19(14)13-29-20(26)12-25-22(28)18-9-7-6-8-17(18)21(27)24-25/h6-11H,12-13H2,1-5H3,(H,24,27)