triethyl (2S,3R)-2-cyano-1-methyl-3-(2-oxidanylidenepropyl)piperidine-2,4,4-tricarboxylate

Systemtic Name: triethyl (2S,3R)-2-cyano-1-methyl-3-(2-oxidanylidenepropyl)piperidine-2,4,4-tricarboxylate Openeye Name: triethyl (2S,3R)-3-acetonyl-2-cyano-1-methyl-piperidine-2,4,4-tricarboxylate CAS Name: (2S,3R)-2-cyano-1-methyl-3-(2-oxopropyl)piperidine-2,4,4-tricarboxylic acid triethyl ester IUPAC Name: triethyl (2S,3R)-2-cyano-1-methyl-3-(2-oxopropyl)piperidine-2,4,4-tricarboxylate Traditional Name: (2S,3R)-3-acetonyl-2-cyano-1-methyl-piperidine-2,4,4-tricarboxylic acid triethyl ester Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(C(C1CC(=O)C)(C#N)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@]1([C@@H](C(CCN1C)(C(=O)OCC)C(=O)OCC)CC(=O)C)C#N

InChI

InChI=1S/C19H28N2O7/c1-6-26-15(23)18(16(24)27-7-2)9-10-21(5)19(12-20,17(25)28-8-3)14(18)11-13(4)22/h14H,6-11H2,1-5H3/t14-,19-/m1/s1