(3-ethoxycarbonylfuran-2-yl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,6-di(propan-2-yl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C(C)C

InChI

InChI=1S/C21H25N3O5/c1-6-27-20(25)14-7-8-28-18(14)11-29-21(26)15-9-17(12(2)3)23-19-16(15)10-22-24(19)13(4)5/h7-10,12-13H,6,11H2,1-5H3