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

Systemtic Name: 1-(4-tert-butylphenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-isopropyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-propan-2-yl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-isopropyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C25H38N2O2 MolecularWeight: 398.58142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O2/c1-16(2)22-21(23(28)29)20(14-17(3)15-24(4,5)6)26-27(22)19-12-10-18(11-13-19)25(7,8)9/h10-13,16-17H,14-15H2,1-9H3,(H,28,29)