methyl (4aR,8aR)-6,7-dimethyl-1-oxidanylidene-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylate

Systemtic Name: methyl (4aR,8aR)-6,7-dimethyl-1-oxidanylidene-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylate Openeye Name: methyl (4aR,8aR)-6,7-dimethyl-1-oxo-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylate CAS Name: (4aR,8aR)-6,7-dimethyl-1-oxo-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aR)-6,7-dimethyl-1-oxo-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylate Traditional Name: (4aR,8aR)-1-keto-6,7-dimethyl-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylic acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C=C(NC2=O)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@H]2[C@H](C1)C=C(NC2=O)C(=O)OC)C

InChI

InChI=1S/C13H17NO3/c1-7-4-9-6-11(13(16)17-3)14-12(15)10(9)5-8(7)2/h6,9-10H,4-5H2,1-3H3,(H,14,15)/t9-,10-/m1/s1