2-[4,6-dimethyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]ethanoic acid

Systemtic Name: 2-[4,6-dimethyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]ethanoic acid Openeye Name: 2-(1-benzyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)acetic acid CAS Name: 2-[4,6-dimethyl-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]acetic acid IUPAC Name: 2-(1-benzyl-4,6-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetic acid Traditional Name: 2-(1-benzyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)acetic acid Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CC(=O)O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CC(=O)O)C)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2/c1-11-14(8-16(21)22)12(2)19-17-15(11)9-18-20(17)10-13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,21,22)