ethyl 4-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(tetrahydropyran-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylate CAS Name: 4-(2-oxanylmethyl)-1-[oxo-[2-(trifluoromethyl)anilino]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(oxan-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylate Traditional Name: 4-(tetrahydropyran-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]isonipecotic acid ethyl ester Formula: C22H29F3N2O4 MolecularWeight: 442.47187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=CC=C2C(F)(F)F)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=CC=C2C(F)(F)F)CC3CCCCO3

InChI

InChI=1S/C22H29F3N2O4/c1-2-30-19(28)21(15-16-7-5-6-14-31-16)10-12-27(13-11-21)20(29)26-18-9-4-3-8-17(18)22(23,24)25/h3-4,8-9,16H,2,5-7,10-15H2,1H3,(H,26,29)