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

Systemtic Name: methyl (4aR,8aS)-2-methyl-7-oxidanylidene-1,4a,8,8a-tetrahydroisoquinoline-4-carboxylate Openeye Name: methyl (4aR,8aS)-2-methyl-7-oxo-1,4a,8,8a-tetrahydroisoquinoline-4-carboxylate CAS Name: (4aR,8aS)-2-methyl-7-oxo-1,4a,8,8a-tetrahydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aS)-2-methyl-7-oxo-1,4a,8,8a-tetrahydroisoquinoline-4-carboxylate Traditional Name: (4aR,8aS)-7-keto-2-methyl-1,4a,8,8a-tetrahydroisoquinoline-4-carboxylic acid methyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC(=O)C=CC2C(=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-13-6-8-5-9(14)3-4-10(8)11(7-13)12(15)16-2/h3-4,7-8,10H,5-6H2,1-2H3/t8-,10-/m1/s1