(2-oxidanylidene-4-propyl-chromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

InChI

InChI=1S/C22H21N3O4/c1-4-5-14-9-20(26)29-19-10-17(6-7-18(14)19)28-22(27)16-8-15-12-24-25(13(2)3)21(15)23-11-16/h6-13H,4-5H2,1-3H3