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

Systemtic Name: [4-[2,3-dicyano-4-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phenyl]phenyl] propanoate Openeye Name: [4-[2,3-dicyano-4-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phenyl]phenyl] propanoate CAS Name: propanoic acid [4-[2,3-dicyano-4-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phenyl]phenyl] ester IUPAC Name: [4-[2,3-dicyano-4-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phenyl]phenyl] propanoate Traditional Name: propionic acid [4-[2,3-dicyano-4-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phenyl]phenyl] ester Formula: C30H34N2O2 MolecularWeight: 454.60316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)C4=CC=C(C=C4)OC(=O)CC)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)C4=CC=C(C=C4)OC(=O)CC)C#N)C#N

InChI

InChI=1S/C30H34N2O2/c1-3-12-29-14-17-30(18-15-29,19-16-29)13-11-23-7-10-25(27(21-32)26(23)20-31)22-5-8-24(9-6-22)34-28(33)4-2/h5-10H,3-4,11-19H2,1-2H3