O4-methyl O8-[2,2,2-tris(chloranyl)ethyl] (1S,3S,4S,5R)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate

Systemtic Name: O4-methyl O8-[2,2,2-tris(chloranyl)ethyl] (1S,3S,4S,5R)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Openeye Name: O4-methyl O8-(2,2,2-trichloroethyl) (1S,3S,4S,5R)-3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate CAS Name: (1S,3S,4S,5R)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O4-methyl ester O8-(2,2,2-trichloroethyl) ester IUPAC Name: 4-O-methyl 8-O-(2,2,2-trichloroethyl) (1S,3S,4S,5R)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Traditional Name: (1S,3S,4S,5R)-3-(4-ethyl-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O4-methyl ester O8-(2,2,2-trichloroethyl) ester Formula: C20H23Cl3INO4 MolecularWeight: 574.66439

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3C(=O)OCC(Cl)(Cl)Cl)I

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C(=O)OCC(Cl)(Cl)Cl)I

InChI

InChI=1S/C20H23Cl3INO4/c1-3-11-4-5-12(8-15(11)24)14-9-13-6-7-16(17(14)18(26)28-2)25(13)19(27)29-10-20(21,22)23/h4-5,8,13-14,16-17H,3,6-7,9-10H2,1-2H3/t13-,14+,16+,17-/m0/s1