5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C23H31F3N2O3/c1-6-18-20(21(29)30)17(14-15(2)10-9-13-22(3,4)31-5)27-28(18)19-12-8-7-11-16(19)23(24,25)26/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3,(H,29,30)