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

Systemtic Name: 1-(4-tert-butylphenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-methyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-methyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C23H34N2O2 MolecularWeight: 370.52826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O2/c1-15(14-22(3,4)5)13-19-20(21(26)27)16(2)25(24-19)18-11-9-17(10-12-18)23(6,7)8/h9-12,15H,13-14H2,1-8H3,(H,26,27)