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

Systemtic Name: 1-(3-chlorophenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C25H29ClN2O3 MolecularWeight: 440.96236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O3/c1-17(9-8-14-25(2,3)31)15-21-22(24(29)30)23(18-10-5-4-6-11-18)28(27-21)20-13-7-12-19(26)16-20/h4-7,10-13,16-17,31H,8-9,14-15H2,1-3H3,(H,29,30)