methyl (4S)-3-(4-iodophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (4S)-3-(4-iodophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (4S)-3-(4-iodophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (4S)-3-(4-iodophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-(4-iodophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (4S)-3-(4-iodophenyl)-8-propargyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H20INO2 MolecularWeight: 409.26137

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CC#C)CC1C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)[C@@H]1C2CCC(N2CC#C)CC1C3=CC=C(C=C3)I

InChI

InChI=1S/C18H20INO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h1,4-7,14-17H,8-11H2,2H3/t14?,15?,16?,17-/m0/s1