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

Systemtic Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O2/c1-6-22-23(24(28)29)21(16-17(2)18-10-8-7-9-11-18)26-27(22)20-14-12-19(13-15-20)25(3,4)5/h7-15,17H,6,16H2,1-5H3,(H,28,29)