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

Systemtic Name: [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate Openeye Name: [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate CAS Name: pentanoic acid [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] ester IUPAC Name: [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] pentanoate Traditional Name: valeric acid [4-(1-amyl-4-bicyclo[2.2.2]octanyl)-2,3-dicyano-phenyl] ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OC(=O)CCCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OC(=O)CCCC)C#N)C#N

InChI

InChI=1S/C26H34N2O2/c1-3-5-7-11-25-12-15-26(16-13-25,17-14-25)22-9-10-23(21(19-28)20(22)18-27)30-24(29)8-6-4-2/h9-10H,3-8,11-17H2,1-2H3