methyl 3-[4-(2-acetyloxyethyl)-3-iodanyl-phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-[4-(2-acetyloxyethyl)-3-iodanyl-phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-[4-(2-acetoxyethyl)-3-iodo-phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-[4-(2-acetyloxyethyl)-3-iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-acetyloxyethyl)-3-iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-[4-(2-acetoxyethyl)-3-iodo-phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C20H26INO4 MolecularWeight: 471.32921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3C)I

Isomeric SMILES

CC(=O)OCCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3C)I

InChI

InChI=1S/C20H26INO4/c1-12(23)26-9-8-13-4-5-14(10-17(13)21)16-11-15-6-7-18(22(15)2)19(16)20(24)25-3/h4-5,10,15-16,18-19H,6-9,11H2,1-3H3