3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-(6-hydroxy-2,6-dimethyl-heptyl)-5-isopropyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-(6-hydroxy-2,6-dimethylheptyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-(6-hydroxy-2,6-dimethylheptyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-(6-hydroxy-2,6-dimethyl-heptyl)-5-isopropyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C23H31F3N2O3 MolecularWeight: 440.49905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C23H31F3N2O3/c1-14(2)20-19(21(29)30)17(13-15(3)9-8-12-22(4,5)31)27-28(20)18-11-7-6-10-16(18)23(24,25)26/h6-7,10-11,14-15,31H,8-9,12-13H2,1-5H3,(H,29,30)