O8-methyl O5-(phenylmethyl) 8-bromanyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate

Systemtic Name: O8-methyl O5-(phenylmethyl) 8-bromanyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate Openeye Name: O5-benzyl O8-methyl 8-bromo-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate CAS Name: 8-bromo-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylic acid O8-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 8-O-methyl 8-bromo-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate Traditional Name: 8-bromo-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylic acid O5-benzyl ester O8-methyl ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2CN(C1C=C2)C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)C1(CC2CN(C1C=C2)C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C17H18BrNO4/c1-22-15(20)17(18)9-13-7-8-14(17)19(10-13)16(21)23-11-12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3