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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-2-5-16-12-19(21(26)27)23(22-16)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)