[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C21H26N4O4/c1-13(18(26)22-20(28)23-21(2,3)4)29-19(27)17-12-16(14-10-11-14)24-25(17)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H2,22,23,26,28)/t13-/m1/s1