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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-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-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=C(C=C3C)C)C

InChI

InChI=1S/C26H30N2O4/c1-5-6-7-10-13-28-25(30)21-12-9-8-11-20(21)24(27-28)26(31)32-16-23(29)22-15-18(3)17(2)14-19(22)4/h8-9,11-12,14-15H,5-7,10,13,16H2,1-4H3