ethyl 4-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-propyl-benzoate

Systemtic Name: ethyl 4-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-propyl-benzoate Openeye Name: ethyl 4-[(3-hydroxyquinuclidin-3-yl)methoxy]-3-propyl-benzoate CAS Name: 4-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-propylbenzoate Traditional Name: 4-[(3-hydroxyquinuclidin-3-yl)methoxy]-3-propyl-benzoic acid ethyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OCC)OCC2(CN3CCC2CC3)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OCC)OCC2(CN3CCC2CC3)O

InChI

InChI=1S/C20H29NO4/c1-3-5-15-12-16(19(22)24-4-2)6-7-18(15)25-14-20(23)13-21-10-8-17(20)9-11-21/h6-7,12,17,23H,3-5,8-11,13-14H2,1-2H3