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

Systemtic Name: 1-(4-tert-butylphenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O2/c1-19(18-27(2,3)4)17-23-24(26(31)32)25(20-11-9-8-10-12-20)30(29-23)22-15-13-21(14-16-22)28(5,6)7/h8-16,19H,17-18H2,1-7H3,(H,31,32)