(3,3-dimethyl-2-oxidanylidene-butyl) 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-17-24-21(26(32)34-16-23(31)27(2,3)4)15-22(18-11-13-20(33-5)14-12-18)28-25(24)30(29-17)19-9-7-6-8-10-19/h6-15H,16H2,1-5H3