2-[[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]benzoic acid Openeye Name: 2-[(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-[1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]methyl]amino]benzoic acid IUPAC Name: 2-[(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H16N4O3/c26-20(24-18-9-5-4-8-17(18)21(27)28)16-10-15-12-23-25(19(15)22-11-16)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,27,28)