5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-propyl-cyclohexane

Systemtic Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-propyl-cyclohexane Openeye Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-propyl-cyclohexane CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-propylcyclohexane IUPAC Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-propylcyclohexane Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-propyl-cyclohexane Formula: C26H45NO4 MolecularWeight: 435.6398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)O.CCCC1CCC(CC1)C2CCCCC2

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)O.CCCC1CCC(CC1)C2CCCCC2

InChI

InChI=1S/C15H28.C11H17NO4/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-2-3-4-5-9-15-7-11(6-12,8-16-9)10(13)14/h13-15H,2-12H2,1H3;9H,2-5,7-8H2,1H3,(H,13,14)