ethyl 1-(1H-imidazol-5-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1H-imidazol-5-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1H-imidazol-5-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-imidazol-5-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C20H24F3N3O2 MolecularWeight: 395.41867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=CN2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=CN2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2/c1-2-28-18(27)19(11-15-4-3-5-16(10-15)20(21,22)23)6-8-26(9-7-19)13-17-12-24-14-25-17/h3-5,10,12,14H,2,6-9,11,13H2,1H3,(H,24,25)