3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxidanylidene-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

Systemtic Name: 3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxidanylidene-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid Openeye Name: 3-[7-ethyl-3,4-dimethyl-1-(o-tolyl)-6-oxo-pyrazolo[3,4-b]pyridin-5-yl]propanoic acid CAS Name: 3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxo-5-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[7-ethyl-3,4-dimethyl-1-(2-methylphenyl)-6-oxopyrazolo[3,4-b]pyridin-5-yl]propanoic acid Traditional Name: 3-[7-ethyl-6-keto-3,4-dimethyl-1-(o-tolyl)pyrazolo[3,4-b]pyridin-5-yl]propionic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C1=O)CCC(=O)O)C)C(=NN2C3=CC=CC=C3C)C

Isomeric SMILES

CCN1C2=C(C(=C(C1=O)CCC(=O)O)C)C(=NN2C3=CC=CC=C3C)C

InChI

InChI=1S/C20H23N3O3/c1-5-22-19-18(13(3)15(20(22)26)10-11-17(24)25)14(4)21-23(19)16-9-7-6-8-12(16)2/h6-9H,5,10-11H2,1-4H3,(H,24,25)