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

Systemtic Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-methyl-cyclohexane Openeye Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-methyl-cyclohexane CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-methylcyclohexane IUPAC Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-methylcyclohexane Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-methyl-cyclohexane Formula: C24H41NO4 MolecularWeight: 407.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C#N)C(=O)O.CC1CCC(CC1)C2CCCCC2

Isomeric SMILES

CCCCCC1OCC(CO1)(C#N)C(=O)O.CC1CCC(CC1)C2CCCCC2

InChI

InChI=1S/C13H24.C11H17NO4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-3-4-5-9-15-7-11(6-12,8-16-9)10(13)14/h11-13H,2-10H2,1H3;9H,2-5,7-8H2,1H3,(H,13,14)