phenethyl 3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: phenethyl 3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C24H28INO2 MolecularWeight: 489.38909

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCCC4=CC=CC=C4)N3)I

Isomeric SMILES

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OCCC4=CC=CC=C4)N3)I

InChI

InChI=1S/C24H28INO2/c1-2-17-8-9-18(14-21(17)25)20-15-19-10-11-22(26-19)23(20)24(27)28-13-12-16-6-4-3-5-7-16/h3-9,14,19-20,22-23,26H,2,10-13,15H2,1H3