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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2CCCCC2.CCCC1OCC(CO1)(C#N)C(=O)O

Isomeric SMILES

CCCC1CCC(CC1)C2CCCCC2.CCCC1OCC(CO1)(C#N)C(=O)O

InChI

InChI=1S/C15H28.C9H13NO4/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-2-3-7-13-5-9(4-10,6-14-7)8(11)12/h13-15H,2-12H2,1H3;7H,2-3,5-6H2,1H3,(H,11,12)