2,2-dimethylpropanoyloxymethyl 6-cyclohexyl-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 6-cyclohexyl-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 5-(4-benzyloxyphenyl)-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 6-cyclohexyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 6-cyclohexyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid pivaloyloxymethyl ester Formula: C32H35N3O6 MolecularWeight: 557.6368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=CC2=NC(=C(C(=O)N2N1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CC2=NC(=C(C(=O)N2N1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H35N3O6/c1-32(2,3)31(38)41-20-40-30(37)25-18-26-33-28(27(29(36)35(26)34-25)22-12-8-5-9-13-22)23-14-16-24(17-15-23)39-19-21-10-6-4-7-11-21/h4,6-7,10-11,14-18,22,34H,5,8-9,12-13,19-20H2,1-3H3