methyl (1S,4R)-3-(6-iodanylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

Systemtic Name: methyl (1S,4R)-3-(6-iodanylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate Openeye Name: methyl (1S,4R)-3-(6-iodo-3-pyridyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate CAS Name: (1S,4R)-3-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-3-(6-iodopyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate Traditional Name: (1S,4R)-3-(6-iodo-3-pyridyl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid methyl ester Formula: C13H15IN2O2 MolecularWeight: 358.17487

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CCC1C(C2)C3=CN=C(C=C3)I

Isomeric SMILES

COC(=O)N1[C@H]2CC[C@@H]1C(C2)C3=CN=C(C=C3)I

InChI

InChI=1S/C13H15IN2O2/c1-18-13(17)16-9-3-4-11(16)10(6-9)8-2-5-12(14)15-7-8/h2,5,7,9-11H,3-4,6H2,1H3/t9-,10?,11+/m0/s1