[4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] pentanoate

Systemtic Name: [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] pentanoate Openeye Name: [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] pentanoate CAS Name: pentanoic acid [4-(4-cyano-4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-propylcyclohexyl)cyclohexyl] pentanoate Traditional Name: valeric acid [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] ester Formula: C21H35NO2 MolecularWeight: 333.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1CCC(CC1)C2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCCC(=O)OC1CCC(CC1)C2CCC(CC2)(CCC)C#N

InChI

InChI=1S/C21H35NO2/c1-3-5-6-20(23)24-19-9-7-17(8-10-19)18-11-14-21(16-22,13-4-2)15-12-18/h17-19H,3-15H2,1-2H3