tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenyl-piperidine-1-carboxylate CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine-1-carboxylate Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-3-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C26H29F6NO3 MolecularWeight: 517.503779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C26H29F6NO3/c1-23(2,3)36-22(34)33-11-7-10-24(16-33,19-8-5-4-6-9-19)17-35-15-18-12-20(25(27,28)29)14-21(13-18)26(30,31)32/h4-6,8-9,12-14H,7,10-11,15-17H2,1-3H3