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

Systemtic Name: 4-[5-(4-oxidanyl-2-pyridin-3-yl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-[4-hydroxy-2-(3-pyridyl)butanoyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-[4-hydroxy-1-oxo-2-(3-pyridinyl)butyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(4-hydroxy-2-pyridin-3-ylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-[4-hydroxy-2-(3-pyridyl)butanoyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c26-9-7-16(15-2-1-8-22-10-15)20(27)25-11-17-18(12-25)23-24-19(17)13-3-5-14(6-4-13)21(28)29/h1-6,8,10,16,26H,7,9,11-12H2,(H,23,24)(H,28,29)