6-cyclohexyl-5-[4-(3-methoxyphenoxy)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-5-[4-(3-methoxyphenoxy)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-5-[4-(3-methoxyphenoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-[4-(3-methoxyphenoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-5-[4-(3-methoxyphenoxy)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-7-keto-5-[4-(3-methoxyphenoxy)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)OC2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C26H25N3O5/c1-33-19-8-5-9-20(14-19)34-18-12-10-17(11-13-18)24-23(16-6-3-2-4-7-16)25(30)29-22(27-24)15-21(28-29)26(31)32/h5,8-16,28H,2-4,6-7H2,1H3,(H,31,32)