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

Systemtic Name: (phenylmethyl) 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoranyl-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: benzyl 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-pyridine-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoro-nicotinoyl]amino]cyclohexanecarboxylic acid benzyl ester Formula: C27H25FN2O6 MolecularWeight: 492.495603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC(=CN=C3OC4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

C1CC(CCC1C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC(=CN=C3OC4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C27H25FN2O6/c28-19-12-22(26(29-14-19)36-21-10-11-23-24(13-21)35-16-34-23)25(31)30-20-8-6-18(7-9-20)27(32)33-15-17-4-2-1-3-5-17/h1-5,10-14,18,20H,6-9,15-16H2,(H,30,31)