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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=C3C(=NN4C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=C3C(=NN4C)C)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c1-15-9-10-19-18(12-23(30)33-22(19)11-15)14-32-26(31)20-13-21(17-7-5-4-6-8-17)27-25-24(20)16(2)28-29(25)3/h4-13H,14H2,1-3H3