4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoranyl-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoranyl-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-nicotinoyl]amino]cyclohexanecarboxylic acid Formula: C20H19FN2O6 MolecularWeight: 402.373063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=CN=C2OC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=CN=C2OC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C20H19FN2O6/c21-12-7-15(18(24)23-13-3-1-11(2-4-13)20(25)26)19(22-9-12)29-14-5-6-16-17(8-14)28-10-27-16/h5-9,11,13H,1-4,10H2,(H,23,24)(H,25,26)