propan-2-yl 4-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-prop-2-enyl-benzoate

Systemtic Name: propan-2-yl 4-[(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-prop-2-enyl-benzoate Openeye Name: isopropyl 3-allyl-4-[(3-hydroxyquinuclidin-3-yl)methoxy]benzoate CAS Name: 4-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-prop-2-enylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methoxy]-3-prop-2-enylbenzoate Traditional Name: 3-allyl-4-[(3-hydroxyquinuclidin-3-yl)methoxy]benzoic acid isopropyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)OCC2(CN3CCC2CC3)O)CC=C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)OCC2(CN3CCC2CC3)O)CC=C

InChI

InChI=1S/C21H29NO4/c1-4-5-16-12-17(20(23)26-15(2)3)6-7-19(16)25-14-21(24)13-22-10-8-18(21)9-11-22/h4,6-7,12,15,18,24H,1,5,8-11,13-14H2,2-3H3