ethyl 5-tert-butyl-5-oxidanyl-1-(2-phenylethanoyl)-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-5-oxidanyl-1-(2-phenylethanoyl)-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-(1-oxo-2-phenylethyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-(2-phenylacetyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O4/c1-5-24-16(22)14-12-18(23,17(2,3)4)20(19-14)15(21)11-13-9-7-6-8-10-13/h6-10,23H,5,11-12H2,1-4H3