methyl 3-(4-chloranyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-chloranyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-chloro-3-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-chloro-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-chloro-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-chloro-3-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H19ClINO2 MolecularWeight: 419.68503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)I)C(=O)OC

Isomeric SMILES

CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)I)C(=O)OC

InChI

InChI=1S/C16H19ClINO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3