3-butoxy-6-[2-[2-chloranyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-butoxy-6-[2-[2-chloranyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phthalonitrile CAS Name: 3-butoxy-6-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-butoxy-6-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phthalonitrile Formula: C31H37ClN2O MolecularWeight: 489.09128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)CCC2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Cl)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)CCC2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Cl)C#N)C#N

InChI

InChI=1S/C31H37ClN2O/c1-3-5-19-35-29-11-9-23(26(21-33)27(29)22-34)6-7-24-8-10-25(20-28(24)32)31-16-13-30(12-4-2,14-17-31)15-18-31/h8-11,20H,3-7,12-19H2,1-2H3