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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)O)C(=O)O

InChI

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