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

Systemtic Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C23H33ClN2O3 MolecularWeight: 420.97272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C23H33ClN2O3/c1-6-9-20-21(22(27)28)19(14-16(2)10-8-13-23(3,4)29-5)25-26(20)18-12-7-11-17(24)15-18/h7,11-12,15-16H,6,8-10,13-14H2,1-5H3,(H,27,28)