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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-14-10-16(24(3,4)5)11-15(2)19(14)13-31-20(28)12-27-23(30)18-9-7-6-8-17(18)21(26-27)22(25)29/h6-11H,12-13H2,1-5H3,(H2,25,29)