2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methoxy-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methoxy-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methoxy-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methoxy-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-7-methoxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-7-methoxy-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=CC(=C2OC)C(=O)O

Isomeric SMILES

CCCCC1=NN2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)N=CC(=C2OC)C(=O)O

InChI

InChI=1S/C26H25N3O5/c1-3-4-9-22-20(23-27-15-21(26(32)33)24(34-2)29(23)28-22)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)25(30)31/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,30,31)(H,32,33)