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

Systemtic Name: 4-[1-cyano-4-(4-heptylcyclohexyl)cyclohexyl]pentanoic acid Openeye Name: 4-[1-cyano-4-(4-heptylcyclohexyl)cyclohexyl]pentanoic acid CAS Name: 4-[1-cyano-4-(4-heptylcyclohexyl)cyclohexyl]pentanoic acid IUPAC Name: 4-[1-cyano-4-(4-heptylcyclohexyl)cyclohexyl]pentanoic acid Traditional Name: 4-[1-cyano-4-(4-heptylcyclohexyl)cyclohexyl]valeric acid Formula: C25H43NO2 MolecularWeight: 389.61442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCC(=O)O

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)(C#N)C(C)CCC(=O)O

InChI

InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-21-10-12-22(13-11-21)23-15-17-25(19-26,18-16-23)20(2)9-14-24(27)28/h20-23H,3-18H2,1-2H3,(H,27,28)