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

Systemtic Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2-fluorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C26H31FN2O3 MolecularWeight: 438.534343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O3/c1-18(11-10-16-26(2,3)32-4)17-21-23(25(30)31)24(19-12-6-5-7-13-19)29(28-21)22-15-9-8-14-20(22)27/h5-9,12-15,18H,10-11,16-17H2,1-4H3,(H,30,31)