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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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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)CC(C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4/c1-14(2)12-26-23(28)19-9-7-6-8-18(19)22(25-26)24(29)30-13-21(27)20-11-16(4)15(3)10-17(20)5/h6-11,14H,12-13H2,1-5H3