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

Systemtic Name: methyl (4aR,8aS)-8a-ethenyl-7-oxidanylidene-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (4aR,8aS)-7-oxo-8a-vinyl-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (4aR,8aS)-8a-ethenyl-7-oxo-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aS)-8a-ethenyl-7-oxo-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (4aR,8aS)-7-keto-8a-vinyl-4a,5,6,8-tetrahydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-3-13-8-11(15)5-4-10(13)6-7-14(9-13)12(16)17-2/h3,6-7,10H,1,4-5,8-9H2,2H3/t10-,13+/m1/s1