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

Systemtic Name: methyl (4aS,8aR)-2-methyl-6-oxidanylidene-3,4,4a,5-tetrahydro-1H-isoquinoline-8a-carboxylate Openeye Name: methyl (4aS,8aR)-2-methyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-8a-carboxylate CAS Name: (4aS,8aR)-2-methyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-8a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aR)-2-methyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-8a-carboxylate Traditional Name: (4aS,8aR)-6-keto-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline-8a-carboxylic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2CC(=O)C=CC2(C1)C(=O)OC

Isomeric SMILES

CN1CC[C@H]2CC(=O)C=C[C@]2(C1)C(=O)OC

InChI

InChI=1S/C12H17NO3/c1-13-6-4-9-7-10(14)3-5-12(9,8-13)11(15)16-2/h3,5,9H,4,6-8H2,1-2H3/t9-,12+/m0/s1