6-cyclohexyl-7-methoxy-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-cyclohexyl-7-methoxy-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-7-methoxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-cyclohexyl-7-methoxy-5-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-cyclohexyl-7-methoxy-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-7-methoxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC2=C(C=NN21)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

COC1=C(C(=NC2=C(C=NN21)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C27H27N3O4/c1-33-26-23(19-10-6-3-7-11-19)24(29-25-22(27(31)32)16-28-30(25)26)20-12-14-21(15-13-20)34-17-18-8-4-2-5-9-18/h2,4-5,8-9,12-16,19H,3,6-7,10-11,17H2,1H3,(H,31,32)