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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCCCC2.CCCC1OCC(CO1)(C#N)C(=O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCCCC2.CCCC1OCC(CO1)(C#N)C(=O)O

InChI

InChI=1S/C17H32.C9H13NO4/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16;1-2-3-7-13-5-9(4-10,6-14-7)8(11)12/h15-17H,2-14H2,1H3;7H,2-3,5-6H2,1H3,(H,11,12)