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

Systemtic Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[4-(2-carboxyphenyl)benzyl]-2-methyl-pyrazole-3-carboxylic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-3-4-9-20-19(21(23(28)29)25(2)24-20)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(26)27/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,26,27)(H,28,29)