methyl (4S)-8-[(E)-3-iodanylprop-2-enyl]-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (4S)-8-[(E)-3-iodanylprop-2-enyl]-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (4S)-8-[(E)-3-iodoallyl]-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (4S)-8-[(E)-3-iodoprop-2-enyl]-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-8-[(E)-3-iodoprop-2-enyl]-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (4S)-8-[(E)-3-iodoallyl]-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CC=CI)CC1C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1C2CCC(N2C/C=C/I)CC1C3=CC=CC=C3

InChI

InChI=1S/C18H22INO2/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19/h2-7,10,14-17H,8-9,11-12H2,1H3/b10-5+/t14?,15?,16?,17-/m0/s1