[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (2-keto-2-mesidino-ethyl) ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C

InChI

InChI=1S/C24H27N3O4/c1-14(2)12-27-23(29)19-9-7-6-8-18(19)22(26-27)24(30)31-13-20(28)25-21-16(4)10-15(3)11-17(21)5/h6-11,14H,12-13H2,1-5H3,(H,25,28)