(4-tert-butylphenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-26(2,3)19-15-13-18(14-16-19)17-31-25(30)23-21-11-7-8-12-22(21)24(29)28(27-23)20-9-5-4-6-10-20/h4-16H,17H2,1-3H3