(1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-methyl-3-phenyl-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-methyl-3-phenyl-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-methyl-3-phenyl-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-methyl-3-phenyl-5-bicyclo[2.2.2]oct-2-enol IUPAC Name: (1S,4R,5S)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-2-methyl-3-phenylbicyclo[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-methyl-3-phenyl-bicyclo[2.2.2]oct-2-en-5-ol Formula: C28H35N3O MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2CCC1CC2(CCN(C)CCCC3=NC4=CC=CC=C4N3)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C([C@H]2CC[C@H]1C[C@@]2(CCN(C)CCCC3=NC4=CC=CC=C4N3)O)C5=CC=CC=C5

InChI

InChI=1S/C28H35N3O/c1-20-22-14-15-23(27(20)21-9-4-3-5-10-21)28(32,19-22)16-18-31(2)17-8-13-26-29-24-11-6-7-12-25(24)30-26/h3-7,9-12,22-23,32H,8,13-19H2,1-2H3,(H,29,30)/t22-,23+,28+/m0/s1