ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromanyl-benzoate Openeye Name: ethyl 3-bromo-4-(quinuclidin-3-ylamino)benzoate CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromobenzoate Traditional Name: 3-bromo-4-(quinuclidin-3-ylamino)benzoic acid ethyl ester Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2CN3CCC2CC3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2CN3CCC2CC3)Br

InChI

InChI=1S/C16H21BrN2O2/c1-2-21-16(20)12-3-4-14(13(17)9-12)18-15-10-19-7-5-11(15)6-8-19/h3-4,9,11,15,18H,2,5-8,10H2,1H3