5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-ethylpyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[4-(2-carboxyphenyl)benzyl]-2-ethyl-pyrazole-3-carboxylic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)CC

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)CC

InChI

InChI=1S/C24H26N2O4/c1-3-5-10-21-20(22(24(29)30)26(4-2)25-21)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(27)28/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,27,28)(H,29,30)