2-[(5-ethoxycarbonyl-1-ethyl-pyrazolo[3,4-b]pyridin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-1-ethyl-pyrazolo[3,4-b]pyridin-4-yl)amino]benzoic acid Openeye Name: 2-[(5-ethoxycarbonyl-1-ethyl-pyrazolo[3,4-b]pyridin-4-yl)amino]benzoic acid CAS Name: 2-[(5-ethoxycarbonyl-1-ethyl-4-pyrazolo[3,4-b]pyridinyl)amino]benzoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzoic acid Traditional Name: 2-[(5-carbethoxy-1-ethyl-pyrazolo[3,4-b]pyridin-4-yl)amino]benzoic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3=CC=CC=C3C(=O)O)C(=O)OCC

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3=CC=CC=C3C(=O)O)C(=O)OCC

InChI

InChI=1S/C18H18N4O4/c1-3-22-16-12(10-20-22)15(13(9-19-16)18(25)26-4-2)21-14-8-6-5-7-11(14)17(23)24/h5-10H,3-4H2,1-2H3,(H,19,21)(H,23,24)