methyl (4aS,8aR)-7-oxidanylidene-1,3,4,4a,8,8a-hexahydroisoquinoline-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2C=CC(=O)CC2C1

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3/c1-15-11(14)12-5-4-8-2-3-10(13)6-9(8)7-12/h2-3,8-9H,4-7H2,1H3/t8-,9+/m1/s1