methyl 1-[[1-[4-(trifluoromethyl)phenyl]carbonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-[4-(trifluoromethyl)phenyl]carbonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[4-(trifluoromethyl)benzoyl]isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H27F3N2O4 MolecularWeight: 440.45599

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H27F3N2O4/c1-31-20(30)21(11-3-2-4-12-21)26-18(28)15-9-13-27(14-10-15)19(29)16-5-7-17(8-6-16)22(23,24)25/h5-8,15H,2-4,9-14H2,1H3,(H,26,28)