methyl (4aS,8aS)-8a-methanoyl-6-oxidanylidene-3,4,4a,5,7,8-hexahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (4aS,8aS)-8a-methanoyl-6-oxidanylidene-3,4,4a,5,7,8-hexahydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (4aS,8aS)-8a-formyl-6-oxo-3,4,4a,5,7,8-hexahydro-1H-isoquinoline-2-carboxylate CAS Name: (4aS,8aS)-8a-formyl-6-oxo-3,4,4a,5,7,8-hexahydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aS)-8a-formyl-6-oxo-3,4,4a,5,7,8-hexahydro-1H-isoquinoline-2-carboxylate Traditional Name: (4aS,8aS)-8a-formyl-6-keto-3,4,4a,5,7,8-hexahydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2CC(=O)CCC2(C1)C=O

Isomeric SMILES

COC(=O)N1CC[C@H]2CC(=O)CC[C@]2(C1)C=O

InChI

InChI=1S/C12H17NO4/c1-17-11(16)13-5-3-9-6-10(15)2-4-12(9,7-13)8-14/h8-9H,2-7H2,1H3/t9-,12-/m0/s1