propan-2-yl (3S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: propan-2-yl (3S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: isopropyl (3S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid isopropyl ester Formula: C17H22INO2 MolecularWeight: 399.26655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C2CCC(N2)CC1C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)OC(=O)C1[C@H](CC2CCC1N2)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H22INO2/c1-10(2)21-17(20)16-14(9-13-7-8-15(16)19-13)11-3-5-12(18)6-4-11/h3-6,10,13-16,19H,7-9H2,1-2H3/t13?,14-,15?,16?/m1/s1