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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=CC=C2F)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

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