ditert-butyl 2-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]pentanedioate CAS Name: 2-[[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]pentanedioate Traditional Name: 2-[[4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoyl]amino]glutaric acid ditert-butyl ester Formula: C24H33N3O6 MolecularWeight: 459.53532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N3O6/c1-15-14-19(28)27(26-15)17-10-8-16(9-11-17)21(30)25-18(22(31)33-24(5,6)7)12-13-20(29)32-23(2,3)4/h8-11,18H,12-14H2,1-7H3,(H,25,30)