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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C22H30ClFN2O3 MolecularWeight: 424.936603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C22H30ClFN2O3/c1-5-7-19-20(21(27)28)18(12-14(2)8-6-11-22(3,4)29)25-26(19)15-9-10-17(24)16(23)13-15/h9-10,13-14,29H,5-8,11-12H2,1-4H3,(H,27,28)