(1-cyano-4-cyclohexyl-cyclohexyl) pentanoate

Systemtic Name: (1-cyano-4-cyclohexyl-cyclohexyl) pentanoate Openeye Name: (1-cyano-4-cyclohexyl-cyclohexyl) pentanoate CAS Name: pentanoic acid (1-cyano-4-cyclohexylcyclohexyl) ester IUPAC Name: (1-cyano-4-cyclohexylcyclohexyl) pentanoate Traditional Name: valeric acid (1-cyano-4-cyclohexyl-cyclohexyl) ester Formula: C18H29NO2 MolecularWeight: 291.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1(CCC(CC1)C2CCCCC2)C#N

Isomeric SMILES

CCCCC(=O)OC1(CCC(CC1)C2CCCCC2)C#N

InChI

InChI=1S/C18H29NO2/c1-2-3-9-17(20)21-18(14-19)12-10-16(11-13-18)15-7-5-4-6-8-15/h15-16H,2-13H2,1H3