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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C22H30ClFN2O3/c1-13(2)20-19(21(27)28)18(11-14(3)7-6-10-22(4,5)29)25-26(20)15-8-9-17(24)16(23)12-15/h8-9,12-14,29H,6-7,10-11H2,1-5H3,(H,27,28)