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

Systemtic Name: 3-(2,6-dimethyl-6-oxidanyl-heptyl)-1-(2-fluorophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC(CCCC(C)(C)O)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C25H29FN2O3/c1-17(10-9-15-25(2,3)31)16-20-22(24(29)30)23(18-11-5-4-6-12-18)28(27-20)21-14-8-7-13-19(21)26/h4-8,11-14,17,31H,9-10,15-16H2,1-3H3,(H,29,30)