3-(2,6-dimethyl-6-oxidanyl-heptyl)-1-(2-fluorophenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(2,6-dimethyl-6-oxidanyl-heptyl)-1-(2-fluorophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C22H31FN2O3 MolecularWeight: 390.491543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C22H31FN2O3/c1-5-9-19-20(21(26)27)17(14-15(2)10-8-13-22(3,4)28)24-25(19)18-12-7-6-11-16(18)23/h6-7,11-12,15,28H,5,8-10,13-14H2,1-4H3,(H,26,27)