ethyl 4-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[1-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-[3-(trifluoromethyl)benzyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28F3N3O2 MolecularWeight: 399.45043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H28F3N3O2/c1-2-28-19(27)26-11-9-25(10-12-26)18-7-4-8-24(15-18)14-16-5-3-6-17(13-16)20(21,22)23/h3,5-6,13,18H,2,4,7-12,14-15H2,1H3