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

Systemtic Name: methyl (4aS,8aS)-6,7-dimethyl-1-oxidanylidene-2,5,8,8a-tetrahydroisoquinoline-4a-carboxylate Openeye Name: methyl (4aS,8aS)-6,7-dimethyl-1-oxo-2,5,8,8a-tetrahydroisoquinoline-4a-carboxylate CAS Name: (4aS,8aS)-6,7-dimethyl-1-oxo-2,5,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aS)-6,7-dimethyl-1-oxo-2,5,8,8a-tetrahydroisoquinoline-4a-carboxylate Traditional Name: (4aS,8aS)-1-keto-6,7-dimethyl-2,5,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C=CNC(=O)C2C1)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]2(C=CNC(=O)[C@H]2C1)C(=O)OC)C

InChI

InChI=1S/C13H17NO3/c1-8-6-10-11(15)14-5-4-13(10,7-9(8)2)12(16)17-3/h4-5,10H,6-7H2,1-3H3,(H,14,15)/t10-,13-/m1/s1