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

Systemtic Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzenecarbonitrile Openeye Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile CAS Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile IUPAC Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile Traditional Name: 2-propoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile Formula: C27H39NO MolecularWeight: 393.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3CCC(CC3)C4=CC(=C(C=C4)OCCC)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3CCC(CC3)C4=CC(=C(C=C4)OCCC)C#N

InChI

InChI=1S/C27H39NO/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/h7,10,19,21,24H,3-6,8-9,11-18H2,1-2H3