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

Systemtic Name: methyl (4aS,8aS)-1-oxidanylidene-4a,5,6,7,8,8a-hexahydro-2H-isoquinoline-3-carboxylate Openeye Name: methyl (4aS,8aS)-1-oxo-4a,5,6,7,8,8a-hexahydro-2H-isoquinoline-3-carboxylate CAS Name: (4aS,8aS)-1-oxo-4a,5,6,7,8,8a-hexahydro-2H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aS)-1-oxo-4a,5,6,7,8,8a-hexahydro-2H-isoquinoline-3-carboxylate Traditional Name: (4aS,8aS)-1-keto-4a,5,6,7,8,8a-hexahydro-2H-isoquinoline-3-carboxylic acid methyl ester Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2CCCCC2C(=O)N1

Isomeric SMILES

COC(=O)C1=C[C@@H]2CCCC[C@@H]2C(=O)N1

InChI

InChI=1S/C11H15NO3/c1-15-11(14)9-6-7-4-2-3-5-8(7)10(13)12-9/h6-8H,2-5H2,1H3,(H,12,13)/t7-,8-/m0/s1