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

Systemtic Name: [2-cyano-4-[2-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] propanoate Openeye Name: [2-cyano-4-[2-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] propanoate CAS Name: propanoic acid [2-cyano-4-[2-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] ester IUPAC Name: [2-cyano-4-[2-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] propanoate Traditional Name: propionic acid [2-cyano-4-[2-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] ester Formula: C31H33N3O2 MolecularWeight: 479.61262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=CC(=C(C=C4)OC(=O)CC)C#N)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=CC(=C(C=C4)OC(=O)CC)C#N)C#N)C#N

InChI

InChI=1S/C31H33N3O2/c1-3-11-30-12-15-31(16-13-30,17-14-30)27-9-8-23(25(20-33)26(27)21-34)7-5-22-6-10-28(24(18-22)19-32)36-29(35)4-2/h6,8-10,18H,3-5,7,11-17H2,1-2H3