5-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-(6-methyl-2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzofuran-2-carboxylic acid CAS Name: 5-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-(6-methyl-2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]coumarilic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C21H17N3O3/c1-12-4-2-5-15(22-12)20-19(16-6-3-9-24(16)23-20)13-7-8-17-14(10-13)11-18(27-17)21(25)26/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,25,26)