3-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]-6-propyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]-6-propyl-phthalonitrile CAS Name: 3-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[(1-amyl-4-bicyclo[2.2.2]octanyl)methoxy]-6-propyl-phthalonitrile Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)COC3=C(C(=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)COC3=C(C(=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C25H34N2O/c1-3-5-6-10-24-11-14-25(15-12-24,16-13-24)19-28-23-9-8-20(7-4-2)21(17-26)22(23)18-27/h8-9H,3-7,10-16,19H2,1-2H3