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

Systemtic Name: 6-[5-(3-oxidanyl-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-[5-(3-hydroxy-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid CAS Name: 6-[5-(3-hydroxy-1-oxo-2-phenylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid Traditional Name: 6-(5-tropoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)nicotinic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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