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

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethylheptyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethylheptyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C22H31ClN2O3/c1-6-19-20(21(26)27)18(13-15(2)9-8-12-22(3,4)28-5)24-25(19)17-11-7-10-16(23)14-17/h7,10-11,14-15H,6,8-9,12-13H2,1-5H3,(H,26,27)