1-azabicyclo[2.2.2]octan-3-yl 2-(4-tert-butylphenoxy)propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-tert-butylphenoxy)propanoate Openeye Name: quinuclidin-3-yl 2-(4-tert-butylphenoxy)propanoate CAS Name: 2-(4-tert-butylphenoxy)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-tert-butylphenoxy)propanoate Traditional Name: 2-(4-tert-butylphenoxy)propionic acid quinuclidin-3-yl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CN2CCC1CC2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)OC1CN2CCC1CC2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H29NO3/c1-14(23-17-7-5-16(6-8-17)20(2,3)4)19(22)24-18-13-21-11-9-15(18)10-12-21/h5-8,14-15,18H,9-13H2,1-4H3