4-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]pentanoic acid

Systemtic Name: 4-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]pentanoic acid Openeye Name: 4-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]pentanoic acid CAS Name: 4-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]pentanoic acid IUPAC Name: 4-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]pentanoic acid Traditional Name: 4-[1-cyano-4-(4-nonylcyclohexyl)cyclohexyl]valeric acid Formula: C27H47NO2 MolecularWeight: 417.66758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCC(=O)O

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCC(=O)O

InChI

InChI=1S/C27H47NO2/c1-3-4-5-6-7-8-9-10-23-12-14-24(15-13-23)25-17-19-27(21-28,20-18-25)22(2)11-16-26(29)30/h22-25H,3-20H2,1-2H3,(H,29,30)