[[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-quinolyl-[(4R)-5-vinylquinuclidin-2-yl]methyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl] ester IUPAC Name: [[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-quinolyl-[(4R)-5-vinylquinuclidin-2-yl]methyl] ester Formula: C26H24ClN3O4 MolecularWeight: 477.93946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C=CC1CN2CC[C@@H]1CC2C(C3=CC=NC4=CC=CC=C34)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H24ClN3O4/c1-2-16-15-29-12-10-17(16)13-24(29)25(20-9-11-28-23-6-4-3-5-19(20)23)34-26(31)21-8-7-18(30(32)33)14-22(21)27/h2-9,11,14,16-17,24-25H,1,10,12-13,15H2/t16?,17-,24?,25?/m1/s1