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

Systemtic Name: O8-tert-butyl O4-methyl 3-(3-iodanyl-4-methyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Openeye Name: O8-tert-butyl O4-methyl 3-(3-iodo-4-methyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate CAS Name: 3-(3-iodo-4-methylphenyl)-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 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylate Traditional Name: 3-(3-iodo-4-methyl-phenyl)-8-azabicyclo[3.2.1]octane-4,8-dicarboxylic acid O8-tert-butyl ester O4-methyl ester Formula: C21H28INO4 MolecularWeight: 485.35579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3C(=O)OC(C)(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC3CCC(C2C(=O)OC)N3C(=O)OC(C)(C)C)I

InChI

InChI=1S/C21H28INO4/c1-12-6-7-13(10-16(12)22)15-11-14-8-9-17(18(15)19(24)26-5)23(14)20(25)27-21(2,3)4/h6-7,10,14-15,17-18H,8-9,11H2,1-5H3