2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C27H33NO MolecularWeight: 387.55702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO/c1-3-11-26-12-15-27(16-13-26,17-14-26)24-8-5-21(6-9-24)22-7-10-25(29-18-4-2)23(19-22)20-28/h5-10,19H,3-4,11-18H2,1-2H3