[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C22H22N2O5/c1-22(2,3)15-10-8-14(9-11-15)18(25)13-29-19(26)12-24-21(28)17-7-5-4-6-16(17)20(27)23-24/h4-11H,12-13H2,1-3H3,(H,23,27)