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

Systemtic Name: 6-[5-(4-oxidanyl-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-[5-(4-hydroxy-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid CAS Name: 6-[5-(4-hydroxy-1-oxo-2-phenylbutyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[5-(4-hydroxy-2-phenylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid Traditional Name: 6-[5-(4-hydroxy-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]nicotinic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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