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

Systemtic Name: methyl 8-butyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 8-butyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 8-butyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 8-butyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-butyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C19H26INO2 MolecularWeight: 427.31971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

CCCCN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C19H26INO2/c1-3-4-11-21-15-9-10-17(21)18(19(22)23-2)16(12-15)13-5-7-14(20)8-6-13/h5-8,15-18H,3-4,9-12H2,1-2H3