butyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbonyloxymethyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: butyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbonyloxymethyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]oxymethyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethoxy]methyl]-4-phenyl-1-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]oxymethyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzoyl]oxymethyl]-4-phenyl-piperidine-1-carboxylic acid butyl ester Formula: C26H27F6NO4 MolecularWeight: 531.487299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27F6NO4/c1-2-3-13-36-23(35)33-11-9-24(10-12-33,19-7-5-4-6-8-19)17-37-22(34)18-14-20(25(27,28)29)16-21(15-18)26(30,31)32/h4-8,14-16H,2-3,9-13,17H2,1H3