ethyl (4aR,8aS)-2-methyl-4a,7,8,8a-tetrahydro-1H-isoquinoline-4-carboxylate

Systemtic Name: ethyl (4aR,8aS)-2-methyl-4a,7,8,8a-tetrahydro-1H-isoquinoline-4-carboxylate Openeye Name: ethyl (4aR,8aS)-2-methyl-4a,7,8,8a-tetrahydro-1H-isoquinoline-4-carboxylate CAS Name: (4aR,8aS)-2-methyl-4a,7,8,8a-tetrahydro-1H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4aR,8aS)-2-methyl-4a,7,8,8a-tetrahydro-1H-isoquinoline-4-carboxylate Traditional Name: (4aR,8aS)-2-methyl-4a,7,8,8a-tetrahydro-1H-isoquinoline-4-carboxylic acid ethyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC2C1C=CCC2)C

Isomeric SMILES

CCOC(=O)C1=CN(C[C@@H]2[C@H]1C=CCC2)C

InChI

InChI=1S/C13H19NO2/c1-3-16-13(15)12-9-14(2)8-10-6-4-5-7-11(10)12/h5,7,9-11H,3-4,6,8H2,1-2H3/t10-,11-/m1/s1