7-(3-chlorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 7-(3-chlorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 7-(3-chlorophenyl)-5-(4-phenylmethoxyphenyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-(3-chlorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H18ClN3O3 MolecularWeight: 455.89242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=CC(=NN4C(=C3)C5=CC(=CC=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=CC(=NN4C(=C3)C5=CC(=CC=C5)Cl)C(=O)O

InChI

InChI=1S/C26H18ClN3O3/c27-20-8-4-7-19(13-20)24-14-22(28-25-15-23(26(31)32)29-30(24)25)18-9-11-21(12-10-18)33-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,31,32)