1-azabicyclo[2.2.2]octan-3-yl (2S)-2-(4-iodophenyl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (2S)-2-(4-iodophenyl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: quinuclidin-3-yl (2S)-2-hydroxy-2-(4-iodophenyl)-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (2S)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-(4-iodophenyl)-2-phenyl-acetic acid quinuclidin-3-yl ester Formula: C21H22INO3 MolecularWeight: 463.30875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)I)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)[C@](C3=CC=CC=C3)(C4=CC=C(C=C4)I)O

InChI

InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19?,21-/m0/s1