(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CN=C4C(=C3)C=NN4C(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CN=C4C(=C3)C=NN4C(C)C)C

InChI

InChI=1S/C22H21N3O4/c1-12(2)25-21-15(10-24-25)7-16(9-23-21)22(27)28-11-17-8-20(26)29-19-6-14(4)13(3)5-18(17)19/h5-10,12H,11H2,1-4H3