1-azabicyclo[2.2.2]octan-3-yl 3-[bis(2-methoxyethyl)amino]-2-oxidanyl-2-phenyl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-[bis(2-methoxyethyl)amino]-2-oxidanyl-2-phenyl-propanoate Openeye Name: quinuclidin-3-yl 3-[bis(2-methoxyethyl)amino]-2-hydroxy-2-phenyl-propanoate CAS Name: 3-[bis(2-methoxyethyl)amino]-2-hydroxy-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-[bis(2-methoxyethyl)amino]-2-hydroxy-2-phenylpropanoate Traditional Name: 3-[bis(2-methoxyethyl)amino]-2-hydroxy-2-phenyl-propionic acid quinuclidin-3-yl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

COCCN(CCOC)CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C22H34N2O5/c1-27-14-12-24(13-15-28-2)17-22(26,19-6-4-3-5-7-19)21(25)29-20-16-23-10-8-18(20)9-11-23/h3-7,18,20,26H,8-17H2,1-2H3