methyl (4aS,8aS)-4-bromanyl-8a-ethenyl-7-oxidanylidene-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (4aS,8aS)-4-bromanyl-8a-ethenyl-7-oxidanylidene-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (4aS,8aS)-4-bromo-7-oxo-8a-vinyl-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (4aS,8aS)-4-bromo-8a-ethenyl-7-oxo-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aS)-4-bromo-8a-ethenyl-7-oxo-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (4aS,8aS)-4-bromo-7-keto-8a-vinyl-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2(CC(=O)CCC2C(=C1)Br)C=C

Isomeric SMILES

COC(=O)N1C[C@@]2(CC(=O)CC[C@@H]2C(=C1)Br)C=C

InChI

InChI=1S/C13H16BrNO3/c1-3-13-6-9(16)4-5-10(13)11(14)7-15(8-13)12(17)18-2/h3,7,10H,1,4-6,8H2,2H3/t10-,13+/m1/s1