3-oxidanylpropyl 5-(2,2-dimethylpropyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-oxidanylpropyl 5-(2,2-dimethylpropyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-hydroxypropyl 5-(2,2-dimethylpropyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(2,2-dimethylpropyl)-1-phenyl-4-pyrazolecarboxylic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 5-(2,2-dimethylpropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-neopentyl-1-phenyl-pyrazole-4-carboxylic acid 3-hydroxypropyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCCCO

Isomeric SMILES

CC(C)(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCCCO

InChI

InChI=1S/C18H24N2O3/c1-18(2,3)12-16-15(17(22)23-11-7-10-21)13-19-20(16)14-8-5-4-6-9-14/h4-6,8-9,13,21H,7,10-12H2,1-3H3