ethyl (4S,4aS,8aR)-8a-ethenyl-2-methyl-3-oxidanylidene-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate

Systemtic Name: ethyl (4S,4aS,8aR)-8a-ethenyl-2-methyl-3-oxidanylidene-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate Openeye Name: ethyl (4S,4aS,8aR)-2-methyl-3-oxo-8a-vinyl-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate CAS Name: (4S,4aS,8aR)-8a-ethenyl-2-methyl-3-oxo-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,4aS,8aR)-8a-ethenyl-2-methyl-3-oxo-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylate Traditional Name: (4S,4aS,8aR)-3-keto-2-methyl-8a-vinyl-4,4a,5,8-tetrahydro-1H-isoquinoline-4-carboxylic acid ethyl ester Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC=CCC2(CN(C1=O)C)C=C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]2CC=CC[C@@]2(CN(C1=O)C)C=C

InChI

InChI=1S/C15H21NO3/c1-4-15-9-7-6-8-11(15)12(14(18)19-5-2)13(17)16(3)10-15/h4,6-7,11-12H,1,5,8-10H2,2-3H3/t11-,12-,15+/m0/s1