(1R,4S,5R)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(2,6-dimethylphenyl)bicyclo[2.2.2]oct-2-en-5-ol

Systemtic Name: (1R,4S,5R)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(2,6-dimethylphenyl)bicyclo[2.2.2]oct-2-en-5-ol Openeye Name: (1R,4S,5R)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(2,6-dimethylphenyl)bicyclo[2.2.2]oct-2-en-5-ol CAS Name: (1R,4S,5R)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-2-(2,6-dimethylphenyl)-5-bicyclo[2.2.2]oct-2-enol IUPAC Name: (1R,4S,5R)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-2-(2,6-dimethylphenyl)bicyclo[2.2.2]oct-2-en-5-ol Traditional Name: (1R,4S,5R)-5-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-2-(2,6-dimethylphenyl)bicyclo[2.2.2]oct-2-en-5-ol Formula: C29H37N3O MolecularWeight: 443.62358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC3CCC2CC3(CCN(C)CCCC4=NC5=CC=CC=C5N4)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C[C@@H]3CC[C@@H]2C[C@]3(CCN(C)CCCC4=NC5=CC=CC=C5N4)O

InChI

InChI=1S/C29H37N3O/c1-20-8-6-9-21(2)28(20)24-18-23-14-13-22(24)19-29(23,33)15-17-32(3)16-7-12-27-30-25-10-4-5-11-26(25)31-27/h4-6,8-11,18,22-23,33H,7,12-17,19H2,1-3H3,(H,30,31)/t22-,23+,29+/m1/s1