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

Systemtic Name: ethyl 1-(1H-indol-3-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1H-indol-3-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(1H-indol-3-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-indol-3-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(1H-indol-3-ylmethyl)-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C25H27F3N2O2 MolecularWeight: 444.48929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CNC3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CNC3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H27F3N2O2/c1-2-32-23(31)24(15-18-6-5-7-20(14-18)25(26,27)28)10-12-30(13-11-24)17-19-16-29-22-9-4-3-8-21(19)22/h3-9,14,16,29H,2,10-13,15,17H2,1H3