methyl (4aR,8aR)-7-cyano-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (4aR,8aR)-7-cyano-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (4aR,8aR)-7-cyano-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate CAS Name: (4aR,8aR)-7-cyano-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aR)-7-cyano-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate Traditional Name: (4aR,8aR)-7-cyano-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2CC=C(CC2C1)C#N

Isomeric SMILES

COC(=O)N1CC[C@H]2CC=C(C[C@H]2C1)C#N

InChI

InChI=1S/C12H16N2O2/c1-16-12(15)14-5-4-10-3-2-9(7-13)6-11(10)8-14/h2,10-11H,3-6,8H2,1H3/t10-,11+/m1/s1