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

Systemtic Name: methyl 3-(3-iodanyl-4-methyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(3-iodo-4-methyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(3-iodo-4-methyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H20INO2 MolecularWeight: 385.23997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3)I

InChI

InChI=1S/C16H20INO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3