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

Systemtic Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C23H33FN2O3 MolecularWeight: 404.518123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C23H33FN2O3/c1-6-10-20-21(22(27)28)18(15-16(2)11-9-14-23(3,4)29-5)25-26(20)19-13-8-7-12-17(19)24/h7-8,12-13,16H,6,9-11,14-15H2,1-5H3,(H,27,28)