tert-butyl (2S)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-3-phenyl-2-(quinuclidin-3-ylamino)propanoate CAS Name: (2S)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(quinuclidin-3-ylamino)propionic acid tert-butyl ester Formula: C20H30N2O2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC2CN3CCC2CC3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC2CN3CCC2CC3

InChI

InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)17(13-15-7-5-4-6-8-15)21-18-14-22-11-9-16(18)10-12-22/h4-8,16-18,21H,9-14H2,1-3H3/t17-,18?/m0/s1