tert-butyl (1S,4R,5R,7R)-4-[[2-cyclopropyloxy-5-(trifluoromethyloxy)phenyl]methylamino]-5-phenyl-8-azabicyclo[3.2.1]octane-7-carboxylate

Systemtic Name: tert-butyl (1S,4R,5R,7R)-4-[[2-cyclopropyloxy-5-(trifluoromethyloxy)phenyl]methylamino]-5-phenyl-8-azabicyclo[3.2.1]octane-7-carboxylate Openeye Name: tert-butyl (1S,4R,5R,7R)-4-[[2-(cyclopropoxy)-5-(trifluoromethoxy)phenyl]methylamino]-5-phenyl-8-azabicyclo[3.2.1]octane-7-carboxylate CAS Name: (1S,4R,5R,7R)-4-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methylamino]-5-phenyl-8-azabicyclo[3.2.1]octane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4R,5R,7R)-4-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methylamino]-5-phenyl-8-azabicyclo[3.2.1]octane-7-carboxylate Traditional Name: (1S,4R,5R,7R)-4-[[2-(cyclopropoxy)-5-(trifluoromethoxy)benzyl]amino]-5-phenyl-8-azabicyclo[3.2.1]octane-7-carboxylic acid tert-butyl ester Formula: C29H35F3N2O4 MolecularWeight: 532.59441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2(C(CCC1N2)NCC3=C(C=CC(=C3)OC(F)(F)F)OC4CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@]2([C@@H](CC[C@@H]1N2)NCC3=C(C=CC(=C3)OC(F)(F)F)OC4CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H35F3N2O4/c1-27(2,3)38-26(35)22-16-28(19-7-5-4-6-8-19)25(14-12-23(22)34-28)33-17-18-15-21(37-29(30,31)32)11-13-24(18)36-20-9-10-20/h4-8,11,13,15,20,22-23,25,33-34H,9-10,12,14,16-17H2,1-3H3/t22-,23+,25-,28-/m1/s1