[(1R,2R,3R)-3-[bis(phenylmethyl)amino]-2-oxidanyl-cyclohexyl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(1R,2R,3R)-3-[bis(phenylmethyl)amino]-2-oxidanyl-cyclohexyl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1R,2R,3R)-3-(dibenzylamino)-2-hydroxy-cyclohexyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [(1R,2R,3R)-3-[bis(phenylmethyl)amino]-2-hydroxycyclohexyl] ester IUPAC Name: [(1R,2R,3R)-3-(dibenzylamino)-2-hydroxycyclohexyl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [(1R,2R,3R)-3-(dibenzylamino)-2-hydroxy-cyclohexyl] ester Formula: C22H24F3NO3 MolecularWeight: 407.42607

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)OC(=O)C(F)(F)F)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([C@H]([C@@H](C1)OC(=O)C(F)(F)F)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24F3NO3/c23-22(24,25)21(28)29-19-13-7-12-18(20(19)27)26(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-20,27H,7,12-15H2/t18-,19-,20-/m1/s1