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

Systemtic Name: [2,3-dicyano-4-[2-[4-(3-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] pentanoate Openeye Name: [2,3-dicyano-4-[2-[4-(3-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] pentanoate CAS Name: pentanoic acid [2,3-dicyano-4-[2-[4-(3-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] ester IUPAC Name: [2,3-dicyano-4-[2-[4-(3-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] pentanoate Traditional Name: valeric acid [2,3-dicyano-4-[2-[4-(3-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] ester Formula: C32H38N2O2 MolecularWeight: 482.65632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=C(C=C1)CCC2=CC=C(C=C2)C34CCC(CC3)CC4CCC)C#N)C#N

Isomeric SMILES

CCCCC(=O)OC1=C(C(=C(C=C1)CCC2=CC=C(C=C2)C34CCC(CC3)CC4CCC)C#N)C#N

InChI

InChI=1S/C32H38N2O2/c1-3-5-7-31(35)36-30-15-12-25(28(21-33)29(30)22-34)11-8-23-9-13-26(14-10-23)32-18-16-24(17-19-32)20-27(32)6-4-2/h9-10,12-15,24,27H,3-8,11,16-20H2,1-2H3