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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-tert-butylphenoxy)propanoate; (Z)-but-2-enedioate Openeye Name: (Z)-but-2-enedioate; quinuclidin-3-yl 2-(4-tert-butylphenoxy)propanoate CAS Name: (Z)-2-butenedioate; 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; (Z)-but-2-enedioate Traditional Name: 2-(4-tert-butylphenoxy)propionic acid quinuclidin-3-yl ester maleate Formula: C24H31NO7-2 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CN2CCC1CC2)OC3=CC=C(C=C3)C(C)(C)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C(=O)OC1CN2CCC1CC2)OC3=CC=C(C=C3)C(C)(C)C.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C20H29NO3.C4H4O4/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;5-3(6)1-2-4(7)8/h5-8,14-15,18H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-