6-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-(4-phenylmethoxyphenyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-cyclohexyl-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN3C(=CC(=N3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CN3C(=CC(=N3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-26(31)23-15-24-27-25(22(16-29(24)28-23)19-9-5-2-6-10-19)20-11-13-21(14-12-20)32-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19H,2,5-6,9-10,17H2,(H,30,31)