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

Systemtic Name: [3-chloranyl-4-[2-[2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] propanoate Openeye Name: [3-chloro-4-[2-[2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] propanoate CAS Name: propanoic acid [3-chloro-4-[2-[2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] ester IUPAC Name: [3-chloro-4-[2-[2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phenyl] propanoate Traditional Name: propionic acid [4-[2-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)-2,3-dicyano-phenyl]ethyl]-3-chloro-phenyl] ester Formula: C32H37ClN2O2 MolecularWeight: 517.10138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=C(C=C(C=C4)OC(=O)CC)Cl)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)CCC4=C(C=C(C=C4)OC(=O)CC)Cl)C#N)C#N

InChI

InChI=1S/C32H37ClN2O2/c1-3-5-6-13-31-14-17-32(18-15-31,19-16-31)28-12-10-23(26(21-34)27(28)22-35)7-8-24-9-11-25(20-29(24)33)37-30(36)4-2/h9-12,20H,3-8,13-19H2,1-2H3