tert-butyl 3-[[2-chloranyl-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-chloranyl-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-chloro-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 3-[[2-chloro-3-(trifluoromethyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-chloro-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 3-[[2-chloro-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23ClF3NO3 MolecularWeight: 393.82833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC(=C2Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC(=C2Cl)C(F)(F)F

InChI

InChI=1S/C18H23ClF3NO3/c1-17(2,3)26-16(24)23-9-5-6-12(10-23)11-25-14-8-4-7-13(15(14)19)18(20,21)22/h4,7-8,12H,5-6,9-11H2,1-3H3