methyl 3-(4-iodophenyl)-8-(2-methoxy-2-oxidanylidene-ethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8-(2-methoxy-2-oxidanylidene-ethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-iodophenyl)-8-(2-methoxy-2-oxo-ethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-iodophenyl)-8-(2-methoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-8-(2-methoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-iodophenyl)-8-(2-keto-2-methoxy-ethyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H22INO4 MolecularWeight: 443.27605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

COC(=O)CN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C18H22INO4/c1-23-16(21)10-20-13-7-8-15(20)17(18(22)24-2)14(9-13)11-3-5-12(19)6-4-11/h3-6,13-15,17H,7-10H2,1-2H3