1-azabicyclo[2.2.2]octan-3-yl 5-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 5-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: quinuclidin-3-yl 5-chloro-2-methyl-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 5-chloro-2-methyl-2,3-dihydrobenzofuran-7-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 5-chloro-2-methyl-coumaran-7-carboxylic acid quinuclidin-3-yl ester Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)Cl)C(=O)OC3CN4CCC3CC4

Isomeric SMILES

CC1CC2=C(O1)C(=CC(=C2)Cl)C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C17H20ClNO3/c1-10-6-12-7-13(18)8-14(16(12)21-10)17(20)22-15-9-19-4-2-11(15)3-5-19/h7-8,10-11,15H,2-6,9H2,1H3