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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C21H28ClFN2O3 MolecularWeight: 410.910023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C21H28ClFN2O3/c1-5-18-19(20(26)27)17(11-13(2)7-6-10-21(3,4)28)24-25(18)14-8-9-16(23)15(22)12-14/h8-9,12-13,28H,5-7,10-11H2,1-4H3,(H,26,27)