2-(diphenylmethyl)-2-methoxy-N-[(3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: 2-(diphenylmethyl)-2-methoxy-N-[(3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: 2-benzhydryl-2-methoxy-N-[(3-nitrophenyl)methyl]quinuclidin-3-amine CAS Name: 2-(diphenylmethyl)-2-methoxy-N-[(3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: 2-benzhydryl-2-methoxy-N-[(3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (2-benzhydryl-2-methoxy-quinuclidin-3-yl)-(3-nitrobenzyl)amine Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(C2CCN1CC2)NCC3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1(C(C2CCN1CC2)NCC3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3/c1-34-28(26(22-10-4-2-5-11-22)23-12-6-3-7-13-23)27(24-15-17-30(28)18-16-24)29-20-21-9-8-14-25(19-21)31(32)33/h2-14,19,24,26-27,29H,15-18,20H2,1H3