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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C23H32ClFN2O3 MolecularWeight: 438.963183

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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)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClFN2O3/c1-6-8-20-21(22(28)29)19(13-15(2)9-7-12-23(3,4)30-5)26-27(20)16-10-11-18(25)17(24)14-16/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,28,29)