tert-butyl (1S,5S,6S,8R)-8-bromanyl-6-methoxy-4-propanoyl-7-azabicyclo[3.2.1]oct-3-ene-7-carboxylate

Systemtic Name: tert-butyl (1S,5S,6S,8R)-8-bromanyl-6-methoxy-4-propanoyl-7-azabicyclo[3.2.1]oct-3-ene-7-carboxylate Openeye Name: tert-butyl (1S,5S,6S,8R)-8-bromo-6-methoxy-4-propanoyl-7-azabicyclo[3.2.1]oct-3-ene-7-carboxylate CAS Name: (1S,5S,6S,8R)-8-bromo-6-methoxy-4-(1-oxopropyl)-7-azabicyclo[3.2.1]oct-3-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,5S,6S,8R)-8-bromo-6-methoxy-4-propanoyl-7-azabicyclo[3.2.1]oct-3-ene-7-carboxylate Traditional Name: (1S,5S,6S,8R)-8-bromo-6-methoxy-4-propionyl-7-azabicyclo[3.2.1]oct-3-ene-7-carboxylic acid tert-butyl ester Formula: C16H24BrNO4 MolecularWeight: 374.27006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CCC2C(C1C(N2C(=O)OC(C)(C)C)OC)Br

Isomeric SMILES

CCC(=O)C1=CC[C@H]2[C@@H]([C@@H]1[C@@H](N2C(=O)OC(C)(C)C)OC)Br

InChI

InChI=1S/C16H24BrNO4/c1-6-11(19)9-7-8-10-13(17)12(9)14(21-5)18(10)15(20)22-16(2,3)4/h7,10,12-14H,6,8H2,1-5H3/t10-,12+,13-,14-/m0/s1