methyl (5E)-8-bromanyl-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate

Systemtic Name: methyl (5E)-8-bromanyl-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate CAS Name: (5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate Traditional Name: (5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylic acid methyl ester Formula: C13H14BrNO2 MolecularWeight: 296.15976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)Br)NCCC1

Isomeric SMILES

COC(=O)/C/1=C/C2=C(C=CC(=C2)Br)NCCC1

InChI

InChI=1S/C13H14BrNO2/c1-17-13(16)9-3-2-6-15-12-5-4-11(14)8-10(12)7-9/h4-5,7-8,15H,2-3,6H2,1H3/b9-7+