(1S,4R,5S)-9-phenethyl-4-phenylmethoxy-7-(phenylmethyl)-7,9-diazabicyclo[3.2.2]nonane-6,8-dione

Systemtic Name: (1S,4R,5S)-9-phenethyl-4-phenylmethoxy-7-(phenylmethyl)-7,9-diazabicyclo[3.2.2]nonane-6,8-dione Openeye Name: (1S,4R,5S)-7-benzyl-4-benzyloxy-9-phenethyl-7,9-diazabicyclo[3.2.2]nonane-6,8-dione CAS Name: (1S,4R,5S)-9-phenethyl-4-phenylmethoxy-7-(phenylmethyl)-7,9-diazabicyclo[3.2.2]nonane-6,8-dione IUPAC Name: (1S,4R,5S)-7-benzyl-9-phenethyl-4-phenylmethoxy-7,9-diazabicyclo[3.2.2]nonane-6,8-dione Traditional Name: (1S,4R,5S)-4-benzoxy-7-benzyl-9-phenethyl-7,9-diazabicyclo[3.2.2]nonane-6,8-quinone Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)N(C(C1OCC3=CC=CC=C3)C(=O)N2CC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[C@H]2C(=O)N([C@@H]([C@@H]1OCC3=CC=CC=C3)C(=O)N2CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N2O3/c32-28-25-16-17-26(34-21-24-14-8-3-9-15-24)27(30(28)19-18-22-10-4-1-5-11-22)29(33)31(25)20-23-12-6-2-7-13-23/h1-15,25-27H,16-21H2/t25-,26+,27-/m0/s1