tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-ethyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-ethyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-ethyl-piperidine-1-carboxylate CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethylpiperidine-1-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-2-ethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30F6N2O4 MolecularWeight: 512.485719

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCN1C(=O)OC(C)(C)C)N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1CC(CCN1C(=O)OC(C)(C)C)N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C23H30F6N2O4/c1-6-17-12-18(7-8-30(17)20(33)35-21(2,3)4)31(19(32)34-5)13-14-9-15(22(24,25)26)11-16(10-14)23(27,28)29/h9-11,17-18H,6-8,12-13H2,1-5H3