(1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(3-methoxyphenyl)bicyclo[2.2.2]oct-2-en-5-ol

Systemtic Name: (1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(3-methoxyphenyl)bicyclo[2.2.2]oct-2-en-5-ol Openeye Name: (1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(3-methoxyphenyl)bicyclo[2.2.2]oct-2-en-5-ol CAS Name: (1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-2-(3-methoxyphenyl)-5-bicyclo[2.2.2]oct-2-enol IUPAC Name: (1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-2-(3-methoxyphenyl)bicyclo[2.2.2]oct-2-en-5-ol Traditional Name: (1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(3-methoxyphenyl)bicyclo[2.2.2]oct-2-en-5-ol Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=NC2=CC=CC=C2N1)CCC3(CC4CCC3C=C4C5=CC(=CC=C5)OC)O

Isomeric SMILES

CN(CCCC1=NC2=CC=CC=C2N1)CC[C@]3(C[C@@H]4CC[C@@H]3C=C4C5=CC(=CC=C5)OC)O

InChI

InChI=1S/C28H35N3O2/c1-31(15-6-11-27-29-25-9-3-4-10-26(25)30-27)16-14-28(32)19-21-12-13-22(28)18-24(21)20-7-5-8-23(17-20)33-2/h3-5,7-10,17-18,21-22,32H,6,11-16,19H2,1-2H3,(H,29,30)/t21-,22+,28+/m0/s1