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

Systemtic Name: (phenylmethyl) 4-[(2-chloranyl-5-fluoranyl-pyridin-3-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: benzyl 4-[(2-chloro-5-fluoro-pyridine-3-carbonyl)amino]cyclohexanecarboxylate CAS Name: 4-[[(2-chloro-5-fluoro-3-pyridinyl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 4-[(2-chloro-5-fluoro-nicotinoyl)amino]cyclohexanecarboxylic acid benzyl ester Formula: C20H20ClFN2O3 MolecularWeight: 390.835803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC(=CN=C3Cl)F

Isomeric SMILES

C1CC(CCC1C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC(=CN=C3Cl)F

InChI

InChI=1S/C20H20ClFN2O3/c21-18-17(10-15(22)11-23-18)19(25)24-16-8-6-14(7-9-16)20(26)27-12-13-4-2-1-3-5-13/h1-5,10-11,14,16H,6-9,12H2,(H,24,25)