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

Systemtic Name: 1-(3-chlorophenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O3/c1-5-18-19(20(25)26)17(12-14(2)8-7-11-21(3,4)27)23-24(18)16-10-6-9-15(22)13-16/h6,9-10,13-14,27H,5,7-8,11-12H2,1-4H3,(H,25,26)