[(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4/c1-15(21(28)17-10-12-18(13-11-17)25-23(30)24(2,3)4)31-22(29)20-14-19(26-27-20)16-8-6-5-7-9-16/h5-15H,1-4H3,(H,25,30)(H,26,27)/t15-/m0/s1