1-(4-tert-butylphenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C24H36N2O2 MolecularWeight: 384.55484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O2/c1-9-20-21(22(27)28)19(14-16(2)15-23(3,4)5)25-26(20)18-12-10-17(11-13-18)24(6,7)8/h10-13,16H,9,14-15H2,1-8H3,(H,27,28)