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

Systemtic Name: 4-[1-cyano-4-(4-octylcyclohexyl)cyclohexyl]pentanoic acid Openeye Name: 4-[1-cyano-4-(4-octylcyclohexyl)cyclohexyl]pentanoic acid CAS Name: 4-[1-cyano-4-(4-octylcyclohexyl)cyclohexyl]pentanoic acid IUPAC Name: 4-[1-cyano-4-(4-octylcyclohexyl)cyclohexyl]pentanoic acid Traditional Name: 4-[1-cyano-4-(4-octylcyclohexyl)cyclohexyl]valeric acid Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCC(=O)O

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCC(=O)O

InChI

InChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-22-11-13-23(14-12-22)24-16-18-26(20-27,19-17-24)21(2)10-15-25(28)29/h21-24H,3-19H2,1-2H3,(H,28,29)