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

Systemtic Name: 2-[4-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl]butanoic acid Openeye Name: 2-[4-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl]butanoic acid CAS Name: 2-[4-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl]butanoic acid IUPAC Name: 2-[4-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl]butanoic acid Traditional Name: 2-[4-[2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phenyl]butyric acid Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O2/c1-3-11-28-12-15-29(16-13-28,17-14-28)26-10-9-23(24(18-30)25(26)19-31)21-7-5-20(6-8-21)22(4-2)27(32)33/h5-10,22H,3-4,11-17H2,1-2H3,(H,32,33)