[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-14(2)24-19-15(12-23-24)10-16(11-22-19)20(26)28-13-18(25)21-8-9-27-17-6-4-3-5-7-17/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,21,25)