diethyl (2S,6R)-2-cyano-6-methyl-5-oxidanylidene-2-[(Z)-3-oxidanylidenebut-1-enyl]heptanedioate

Systemtic Name: diethyl (2S,6R)-2-cyano-6-methyl-5-oxidanylidene-2-[(Z)-3-oxidanylidenebut-1-enyl]heptanedioate Openeye Name: diethyl (2S,6R)-2-cyano-6-methyl-5-oxo-2-[(Z)-3-oxobut-1-enyl]heptanedioate CAS Name: (2S,6R)-2-cyano-6-methyl-5-oxo-2-[(Z)-3-oxobut-1-enyl]heptanedioic acid diethyl ester IUPAC Name: diethyl (2S,6R)-2-cyano-6-methyl-5-oxo-2-[(Z)-3-oxobut-1-enyl]heptanedioate Traditional Name: (2S,6R)-2-cyano-5-keto-2-[(Z)-3-ketobut-1-enyl]-6-methyl-pimelic acid diethyl ester Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(=O)CCC(C=CC(=O)C)(C#N)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO6/c1-5-23-15(21)13(4)14(20)8-10-17(11-18,9-7-12(3)19)16(22)24-6-2/h7,9,13H,5-6,8,10H2,1-4H3/b9-7-/t13-,17-/m1/s1