3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propyl-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propyl-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propyl-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propyl-5-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methyl-2-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-7-methyl-2-propyl-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O)C

Isomeric SMILES

CCCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O)C

InChI

InChI=1S/C25H23N3O4/c1-3-6-21-20(23-26-22(25(31)32)13-15(2)28(23)27-21)14-16-9-11-17(12-10-16)18-7-4-5-8-19(18)24(29)30/h4-5,7-13H,3,6,14H2,1-2H3,(H,29,30)(H,31,32)