triethyl (2R,3S)-3-cyano-2-(2-oxidanylidenepropyl)cyclohexane-1,1,3-tricarboxylate

Systemtic Name: triethyl (2R,3S)-3-cyano-2-(2-oxidanylidenepropyl)cyclohexane-1,1,3-tricarboxylate Openeye Name: triethyl (2R,3S)-2-acetonyl-3-cyano-cyclohexane-1,1,3-tricarboxylate CAS Name: (2R,3S)-3-cyano-2-(2-oxopropyl)cyclohexane-1,1,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl (2R,3S)-3-cyano-2-(2-oxopropyl)cyclohexane-1,1,3-tricarboxylate Traditional Name: (2R,3S)-2-acetonyl-3-cyano-cyclohexane-1,1,3-tricarboxylic acid triethyl ester Formula: C19H27NO7 MolecularWeight: 381.42018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO7/c1-5-25-15(22)18(12-20)9-8-10-19(16(23)26-6-2,17(24)27-7-3)14(18)11-13(4)21/h14H,5-11H2,1-4H3/t14-,18-/m1/s1