3-phenylmethoxycarbonyl-1-(trifluoromethyl)-3-azabicyclo[2.1.1]hexane-4-carboxylate

Systemtic Name: 3-phenylmethoxycarbonyl-1-(trifluoromethyl)-3-azabicyclo[2.1.1]hexane-4-carboxylate Openeye Name: 3-benzyloxycarbonyl-1-(trifluoromethyl)-3-azabicyclo[2.1.1]hexane-4-carboxylate CAS Name: 3-phenylmethoxycarbonyl-1-(trifluoromethyl)-3-azabicyclo[2.1.1]hexane-4-carboxylate IUPAC Name: 3-phenylmethoxycarbonyl-1-(trifluoromethyl)-3-azabicyclo[2.1.1]hexane-4-carboxylate Traditional Name: 3-carbobenzoxy-1-(trifluoromethyl)-3-azabicyclo[2.1.1]hexane-4-carboxylate Formula: C15H13F3NO4- MolecularWeight: 328.26323

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC1(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1C2(CC1(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H14F3NO4/c16-15(17,18)13-7-14(8-13,11(20)21)19(9-13)12(22)23-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,20,21)/p-1