1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-pyrazole-3-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-5-propylpyrazole-3-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-5-propyl-pyrazole-3-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-2-5-16-12-19(21(26)27)22-23(16)13-14-8-10-15(11-9-14)17-6-3-4-7-18(17)20(24)25/h3-4,6-12H,2,5,13H2,1H3,(H,24,25)(H,26,27)