3-[2-(4-tert-butylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(4-tert-butylphenoxy)ethyl]-4-keto-phthalazine-1-carboxylate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)14-8-10-15(11-9-14)27-13-12-23-19(24)17-7-5-4-6-16(17)18(22-23)20(25)26/h4-11H,12-13H2,1-3H3,(H,25,26)/p-1