MOLI000092

Molecular Formula: C₂₁H₂₂INO₂

InChI: InChI=1/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18+,19-,20-/m0/s1/i22-4

InChIKey: InChIKey=YGQAUDOSACJSSX-OHKJQRGRFF
SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC4=CC=CC=C4

Names:
    MOLI000092
    phenyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Registries:
    PubChem CID 449703
    PubChem ID 87