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

Systemtic Name: O8-tert-butyl O4-methyl (1S,3S,4S,5R)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Openeye Name: O8-tert-butyl O4-methyl (1S,3S,4S,5R)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate CAS Name: (1S,3S,4S,5R)-3-(4-ethyl-3-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O8-tert-butyl ester O4-methyl ester IUPAC Name: 8-O-tert-butyl 4-O-methyl (1S,3S,4S,5R)-3-(4-ethyl-3-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Traditional Name: (1S,3S,4S,5R)-3-(4-ethyl-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O8-tert-butyl ester O4-methyl ester Formula: C22H30INO4 MolecularWeight: 497.382524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C(=O)OC(C)(C)C)[125I]

InChI

InChI=1S/C22H30INO4/c1-6-13-7-8-14(11-17(13)23)16-12-15-9-10-18(19(16)20(25)27-5)24(15)21(26)28-22(2,3)4/h7-8,11,15-16,18-19H,6,9-10,12H2,1-5H3/t15-,16+,18+,19-/m0/s1/i23-2