O3-ethyl O2-methyl (3S,4aS,8aR)-6-(cyanomethylimino)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl (3S,4aS,8aR)-6-(cyanomethylimino)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl (3S,4aS,8aR)-6-(cyanomethylimino)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylate CAS Name: (3S,4aS,8aR)-6-(cyanomethylimino)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl (3S,4aS,8aR)-6-(cyanomethylimino)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylate Traditional Name: (3S,4aS,8aR)-6-(cyanomethylimino)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC(=NCC#N)CCC2CN1C(=O)OC

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@H]2CC(=NCC#N)CC[C@H]2CN1C(=O)OC

InChI

InChI=1S/C16H23N3O4/c1-3-23-15(20)14-9-12-8-13(18-7-6-17)5-4-11(12)10-19(14)16(21)22-2/h11-12,14H,3-5,7-10H2,1-2H3/t11-,12+,14-/m0/s1