methyl 3-(4-iodophenyl)-8-(3-oxidanylpropyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8-(3-oxidanylpropyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 8-(3-hydroxypropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 8-(3-hydroxypropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 8-(3-hydroxypropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-(3-hydroxypropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H24INO3 MolecularWeight: 429.29253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CCCO)CC1C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)C1C2CCC(N2CCCO)CC1C3=CC=C(C=C3)I

InChI

InChI=1S/C18H24INO3/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)20(14)9-2-10-21/h3-6,14-17,21H,2,7-11H2,1H3