[(E)-3-phenylprop-2-enyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [(E)-cinnamyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid [(E)-cinnamyl] ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c1-14(2)23-19-17(13-21-23)12-18(15(3)22-19)20(24)25-11-7-10-16-8-5-4-6-9-16/h4-10,12-14H,11H2,1-3H3/b10-7+