methyl (3S,4S)-3-(4-iodanylphenyl)-6-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4S)-3-(4-iodanylphenyl)-6-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4S)-3-(4-iodanylphenyl)-6-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4S)-3-(4-iodanylphenyl)-6-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-(4-iodanylphenyl)-6-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4S)-3-(4-iodanylphenyl)-6-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H20INO2 MolecularWeight: 381.241098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CC(C(C1N2)C(=O)OC)C3=CC=C(C=C3)I

Isomeric SMILES

CC1CC2C[C@@H]([C@@H](C1N2)C(=O)OC)C3=CC=C(C=C3)[123I]

InChI

InChI=1S/C16H20INO2/c1-9-7-12-8-13(10-3-5-11(17)6-4-10)14(15(9)18-12)16(19)20-2/h3-6,9,12-15,18H,7-8H2,1-2H3/t9?,12?,13-,14+,15?/m1/s1/i17-4