1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C20H26ClFN2O2 MolecularWeight: 380.884043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClFN2O2/c1-6-17-18(19(25)26)16(9-12(2)11-20(3,4)5)23-24(17)13-7-8-15(22)14(21)10-13/h7-8,10,12H,6,9,11H2,1-5H3,(H,25,26)