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

Systemtic Name: 3-butyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-butyl-6-(4-pentoxyphenyl)phthalonitrile CAS Name: 3-butyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-butyl-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-butyl-phthalonitrile Formula: C23H26N2O MolecularWeight: 346.46534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O/c1-3-5-7-15-26-20-12-9-19(10-13-20)21-14-11-18(8-6-4-2)22(16-24)23(21)17-25/h9-14H,3-8,15H2,1-2H3