[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H22N2O4/c1-16-13-18(3)22(14-17(16)2)23(29)15-32-26(31)24-20-11-7-8-12-21(20)25(30)28(27-24)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3