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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C20H26ClFN2O3 MolecularWeight: 396.883443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C20H26ClFN2O3/c1-12(6-5-9-20(3,4)27)10-17-18(19(25)26)13(2)24(23-17)14-7-8-16(22)15(21)11-14/h7-8,11-12,27H,5-6,9-10H2,1-4H3,(H,25,26)