(4-butoxycarbonylphenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-5-6-11-27-20(25)15-7-9-16(10-8-15)28-21(26)17-12-13(2)22-19-18(17)14(3)23-24(19)4/h7-10,12H,5-6,11H2,1-4H3