tert-butyl 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-chloranyl-2-oxidanylidene-ethoxy]methyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-chloranyl-2-oxidanylidene-ethoxy]methyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-2-oxo-ethoxy]methyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-2-oxoethoxy]methyl]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-2-oxoethoxy]methyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[1-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-2-keto-ethoxy]methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C27H28ClF6NO4 MolecularWeight: 579.958939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(COC(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(COC(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C27H28ClF6NO4/c1-24(2,3)39-23(37)35-11-9-25(10-12-35,18-7-5-4-6-8-18)16-38-21(22(28)36)17-13-19(26(29,30)31)15-20(14-17)27(32,33)34/h4-8,13-15,21H,9-12,16H2,1-3H3