3-(4-heptoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-heptoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-(4-propylcyclohexyl)phthalonitrile CAS Name: 3-(4-heptoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptoxyphenyl)-6-(4-propylcyclohexyl)phthalonitrile Formula: C30H38N2O MolecularWeight: 442.63552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CCC)C#N)C#N

InChI

InChI=1S/C30H38N2O/c1-3-5-6-7-8-20-33-26-16-14-25(15-17-26)28-19-18-27(29(21-31)30(28)22-32)24-12-10-23(9-4-2)11-13-24/h14-19,23-24H,3-13,20H2,1-2H3