triethyl (2S,3R,6R)-3-cyano-6-methyl-2-(2-oxidanylidenepropyl)cyclohexane-1,1,3-tricarboxylate

Systemtic Name: triethyl (2S,3R,6R)-3-cyano-6-methyl-2-(2-oxidanylidenepropyl)cyclohexane-1,1,3-tricarboxylate Openeye Name: triethyl (2S,3R,6R)-2-acetonyl-3-cyano-6-methyl-cyclohexane-1,1,3-tricarboxylate CAS Name: (2S,3R,6R)-3-cyano-6-methyl-2-(2-oxopropyl)cyclohexane-1,1,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl (2S,3R,6R)-3-cyano-6-methyl-2-(2-oxopropyl)cyclohexane-1,1,3-tricarboxylate Traditional Name: (2S,3R,6R)-2-acetonyl-3-cyano-6-methyl-cyclohexane-1,1,3-tricarboxylic acid triethyl ester Formula: C20H29NO7 MolecularWeight: 395.44676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO7/c1-6-26-16(23)19(12-21)10-9-13(4)20(17(24)27-7-2,18(25)28-8-3)15(19)11-14(5)22/h13,15H,6-11H2,1-5H3/t13-,15+,19+/m1/s1