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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClFN2O3/c1-14(2)21-20(22(28)29)19(12-15(3)8-7-11-23(4,5)30-6)26-27(21)16-9-10-18(25)17(24)13-16/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,28,29)