3-butoxy-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-butoxy-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phthalonitrile CAS Name: 3-butoxy-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[2-[4-(4-amylcyclohexyl)phenyl]ethyl]-6-butoxy-phthalonitrile Formula: C31H40N2O MolecularWeight: 456.6621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=C(C(=C(C=C3)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=C(C(=C(C=C3)OCCCC)C#N)C#N

InChI

InChI=1S/C31H40N2O/c1-3-5-7-8-24-9-14-26(15-10-24)27-16-11-25(12-17-27)13-18-28-19-20-31(34-21-6-4-2)30(23-33)29(28)22-32/h11-12,16-17,19-20,24,26H,3-10,13-15,18,21H2,1-2H3