tert-butyl 7-iodanyl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-iodanyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-iodo-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-iodo-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-iodo-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-iodo-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C11H18INO2 MolecularWeight: 323.17059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1I

InChI

InChI=1S/C11H18INO2/c1-11(2,3)15-10(14)13-8-6-4-5-7-9(13)12/h7H,4-6,8H2,1-3H3