4-[5-(3-oxidanyl-2-pyridin-3-yl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(3-oxidanyl-2-pyridin-3-yl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-[3-hydroxy-2-(3-pyridyl)propanoyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-[3-hydroxy-1-oxo-2-(3-pyridinyl)propyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(3-hydroxy-2-pyridin-3-ylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-[3-hydroxy-2-(3-pyridyl)propanoyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)C(CO)C3=CN=CC=C3)NN=C2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=C(CN1C(=O)C(CO)C3=CN=CC=C3)NN=C2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H18N4O4/c25-11-16(14-2-1-7-21-8-14)19(26)24-9-15-17(10-24)22-23-18(15)12-3-5-13(6-4-12)20(27)28/h1-8,16,25H,9-11H2,(H,22,23)(H,27,28)