ethyl (1S,5R,6S,8R)-6-iodanyl-3-phenyl-4-oxa-2-azabicyclo[3.3.1]non-2-ene-8-carboxylate

Systemtic Name: ethyl (1S,5R,6S,8R)-6-iodanyl-3-phenyl-4-oxa-2-azabicyclo[3.3.1]non-2-ene-8-carboxylate Openeye Name: ethyl (1S,5R,6S,8R)-6-iodo-3-phenyl-4-oxa-2-azabicyclo[3.3.1]non-2-ene-8-carboxylate CAS Name: (1S,5R,6S,8R)-6-iodo-3-phenyl-4-oxa-2-azabicyclo[3.3.1]non-2-ene-8-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5R,6S,8R)-6-iodo-3-phenyl-4-oxa-2-azabicyclo[3.3.1]non-2-ene-8-carboxylate Traditional Name: (1S,5R,6S,8R)-6-iodo-3-phenyl-4-oxa-2-azabicyclo[3.3.1]non-2-ene-8-carboxylic acid ethyl ester Formula: C16H18INO3 MolecularWeight: 399.22349

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C2CC1N=C(O2)C3=CC=CC=C3)I

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H]([C@H]2C[C@@H]1N=C(O2)C3=CC=CC=C3)I

InChI

InChI=1S/C16H18INO3/c1-2-20-16(19)11-8-12(17)14-9-13(11)18-15(21-14)10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3/t11-,12+,13+,14-/m1/s1