6-(2-cyclohexylethyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-(2-cyclohexylethyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-(2-cyclohexylethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-(2-cyclohexylethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-(2-cyclohexylethyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c32-27-23(16-11-19-7-3-1-4-8-19)26(29-25-17-24(28(33)34)30-31(25)27)21-12-14-22(15-13-21)35-18-20-9-5-2-6-10-20/h2,5-6,9-10,12-15,17,19,30H,1,3-4,7-8,11,16,18H2,(H,33,34)