1-(4-tert-butylphenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-methyl-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-methyl-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H24N2O2/c1-6-7-15-16(17(21)22)12(2)20(19-15)14-10-8-13(9-11-14)18(3,4)5/h8-11H,6-7H2,1-5H3,(H,21,22)