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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-isopropyl-pyrazole-4-carboxylic acid Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CCCC(C)(C)O)C(=O)O

InChI

InChI=1S/C26H40N2O3/c1-17(2)23-22(24(29)30)21(16-18(3)10-9-15-26(7,8)31)27-28(23)20-13-11-19(12-14-20)25(4,5)6/h11-14,17-18,31H,9-10,15-16H2,1-8H3,(H,29,30)