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

Systemtic Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-pentyl-cyclohexane Openeye Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-pentyl-cyclohexane CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-pentylcyclohexane IUPAC Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-pentylcyclohexane Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid; 1-amyl-4-cyclohexyl-cyclohexane Formula: C28H49NO4 MolecularWeight: 463.69296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCCCC2.CCCCCC1OCC(CO1)(C#N)C(=O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCCCC2.CCCCCC1OCC(CO1)(C#N)C(=O)O

InChI

InChI=1S/C17H32.C11H17NO4/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16;1-2-3-4-5-9-15-7-11(6-12,8-16-9)10(13)14/h15-17H,2-14H2,1H3;9H,2-5,7-8H2,1H3,(H,13,14)