tert-butyl 3-[[2-chloranyl-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-chloranyl-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 3-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 3-[[2-chloro-5-(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=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C18H23ClF3NO3/c1-17(2,3)26-16(24)23-8-4-5-12(10-23)11-25-15-9-13(18(20,21)22)6-7-14(15)19/h6-7,9,12H,4-5,8,10-11H2,1-3H3