methyl 3-(4-iodophenyl)-8-pentyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8-pentyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-iodophenyl)-8-pentyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-iodophenyl)-8-pentyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-8-pentyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-amyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C20H28INO2 MolecularWeight: 441.34629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

CCCCCN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C20H28INO2/c1-3-4-5-12-22-16-10-11-18(22)19(20(23)24-2)17(13-16)14-6-8-15(21)9-7-14/h6-9,16-19H,3-5,10-13H2,1-2H3