methyl (3S)-3-(4-iodophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate

Systemtic Name: methyl (3S)-3-(4-iodophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate Openeye Name: methyl (3S)-3-(4-iodophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate CAS Name: (3S)-3-(4-iodophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S)-3-(4-iodophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylate Traditional Name: (3S)-3-(4-iodophenyl)-6-methyl-6-azabicyclo[3.2.2]nonane-4-carboxylic acid methyl ester Formula: C17H22INO2 MolecularWeight: 399.26655

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

CN1CC2CCC1C([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1