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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethylheptyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(6-hydroxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O3/c1-8-21-22(23(28)29)20(16-17(2)10-9-15-25(6,7)30)26-27(21)19-13-11-18(12-14-19)24(3,4)5/h11-14,17,30H,8-10,15-16H2,1-7H3,(H,28,29)