[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate

Systemtic Name: [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate Openeye Name: [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate CAS Name: pentanoic acid [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] ester IUPAC Name: [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate Traditional Name: valeric acid [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] ester Formula: C24H30N2O2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCC(=O)OC1=C(C(=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C24H30N2O2/c1-3-5-6-22(27)28-21-8-7-20(18(16-25)19(21)17-26)24-13-10-23(9-4-2,11-14-24)12-15-24/h7-8H,3-6,9-15H2,1-2H3