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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(CCCC(C)(C)O)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H38N2O3/c1-20(11-10-18-29(5,6)34)19-24-25(27(32)33)26(21-12-8-7-9-13-21)31(30-24)23-16-14-22(15-17-23)28(2,3)4/h7-9,12-17,20,34H,10-11,18-19H2,1-6H3,(H,32,33)