[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O3/c1-19(2,3)13-20(4,5)21-17(24)12-26-18(25)16-11-15(22-23-16)14-9-7-6-8-10-14/h6-11H,12-13H2,1-5H3,(H,21,24)(H,22,23)