methyl (1S,4S,9aS)-1-ethenyl-6-oxidanylidene-1,2,3,4,7,9a-hexahydroquinolizine-4-carboxylate

Systemtic Name: methyl (1S,4S,9aS)-1-ethenyl-6-oxidanylidene-1,2,3,4,7,9a-hexahydroquinolizine-4-carboxylate Openeye Name: methyl (1S,4S,9aS)-6-oxo-1-vinyl-1,2,3,4,7,9a-hexahydroquinolizine-4-carboxylate CAS Name: (1S,4S,9aS)-1-ethenyl-6-oxo-1,2,3,4,7,9a-hexahydroquinolizine-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,9aS)-1-ethenyl-6-oxo-1,2,3,4,7,9a-hexahydroquinolizine-4-carboxylate Traditional Name: (1S,4S,9aS)-6-keto-1-vinyl-1,2,3,4,7,9a-hexahydroquinolizine-4-carboxylic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C2N1C(=O)CC=C2)C=C

Isomeric SMILES

COC(=O)[C@@H]1CC[C@H]([C@H]2N1C(=O)CC=C2)C=C

InChI

InChI=1S/C13H17NO3/c1-3-9-7-8-11(13(16)17-2)14-10(9)5-4-6-12(14)15/h3-5,9-11H,1,6-8H2,2H3/t9-,10+,11+/m1/s1