methyl (4aS,8aR)-2-methyl-1,7-bis(oxidanylidene)-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylate

Systemtic Name: methyl (4aS,8aR)-2-methyl-1,7-bis(oxidanylidene)-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylate Openeye Name: methyl (4aS,8aR)-2-methyl-1,7-dioxo-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylate CAS Name: (4aS,8aR)-2-methyl-1,7-dioxo-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aR)-2-methyl-1,7-dioxo-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylate Traditional Name: (4aS,8aR)-1,7-diketo-2-methyl-5,6,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2(CCC(=O)CC2C1=O)C(=O)OC

Isomeric SMILES

CN1C=C[C@]2(CCC(=O)C[C@H]2C1=O)C(=O)OC

InChI

InChI=1S/C12H15NO4/c1-13-6-5-12(11(16)17-2)4-3-8(14)7-9(12)10(13)15/h5-6,9H,3-4,7H2,1-2H3/t9-,12-/m0/s1