3-(4-pentoxyphenyl)-6-propyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-pentoxyphenyl)-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-pentoxyphenyl)-6-propyl-phthalonitrile CAS Name: 3-(4-pentoxyphenyl)-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-pentoxyphenyl)-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-propyl-phthalonitrile Formula: C22H24N2O MolecularWeight: 332.43876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC)C#N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCC)C#N)C#N

InChI

InChI=1S/C22H24N2O/c1-3-5-6-14-25-19-11-8-18(9-12-19)20-13-10-17(7-4-2)21(15-23)22(20)16-24/h8-13H,3-7,14H2,1-2H3