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

Systemtic Name: tert-butyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-propyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-propyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-oxopropyl]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-oxopropyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-keto-propyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C27H29F6NO3 MolecularWeight: 529.514479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29F6NO3/c1-24(2,3)37-23(36)34-13-11-25(12-14-34,19-7-5-4-6-8-19)10-9-22(35)18-15-20(26(28,29)30)17-21(16-18)27(31,32)33/h4-8,15-17H,9-14H2,1-3H3