[(E)-3-phenylprop-2-enyl] 3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: [(E)-cinnamyl] 3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid [(E)-cinnamyl] ester Formula: C25H28INO2 MolecularWeight: 501.39979

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCC=CC4=CC=CC=C4)N3)I

Isomeric SMILES

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC/C=C/C4=CC=CC=C4)N3)I

InChI

InChI=1S/C25H28INO2/c1-2-18-10-11-19(15-22(18)26)21-16-20-12-13-23(27-20)24(21)25(28)29-14-6-9-17-7-4-3-5-8-17/h3-11,15,20-21,23-24,27H,2,12-14,16H2,1H3/b9-6+