3-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(4-tert-butylbenzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-20(2,3)14-10-8-13(9-11-14)12-22-18(23)16-7-5-4-6-15(16)17(21-22)19(24)25/h4-11H,12H2,1-3H3,(H,24,25)