methyl (4aS,8aS)-2,7-dimethyl-1-oxidanylidene-8,8a-dihydro-5H-isoquinoline-4a-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C=CN(C(=O)C2C1)C)C(=O)OC

Isomeric SMILES

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

InChI

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