MOLI001027

Molecular Formula: C₁₈H₂₂INO₃

InChI: InChI=1/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1/i19+4

InChIKey: InChIKey=MMUQVFDMUDOFSH-XPYDXKTDFU
SMILES: C1CN2CCC1C(C2)OC(=O)C(CC=CI)(C3=CC=CC=C3)O

Names:
    MOLI001027
    [(8S)-1-azabicyclo[2.2.2]oct-8-yl] (E,2R)-2-hydroxy-5-iodo-2-phenyl-pent-4-enoate

Registries:
    PubChem CID 5462105
    PubChem ID 981