(4-tert-butylphenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (4-tert-butylbenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)15-10-8-14(9-11-15)13-26-19(24)12-18-16-6-4-5-7-17(16)20(25)23-22-18/h4-11H,12-13H2,1-3H3,(H,23,25)