2-[3-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-tert-butylphenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-tert-butylphenyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(4-tert-butylphenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(4-tert-butylbenzyl)-4-keto-phthalazin-1-yl]acetic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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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)CC(=O)O

Isomeric SMILES

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

InChI

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