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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C24H36N2O3 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C24H36N2O3/c1-16(9-8-14-24(6,7)29)15-20-21(22(27)28)17(2)26(25-20)19-12-10-18(11-13-19)23(3,4)5/h10-13,16,29H,8-9,14-15H2,1-7H3,(H,27,28)