3-(4-heptoxyphenyl)-6-(4-methoxyphenyl)cyclohexa-1,4-diene-1,2-dicarbonitrile

Systemtic Name: 3-(4-heptoxyphenyl)-6-(4-methoxyphenyl)cyclohexa-1,4-diene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-(4-methoxyphenyl)cyclohexa-1,4-diene-1,2-dicarbonitrile CAS Name: 3-(4-heptoxyphenyl)-6-(4-methoxyphenyl)cyclohexa-1,4-diene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-(4-methoxyphenyl)cyclohexa-1,4-diene-1,2-dicarbonitrile Traditional Name: 3-(4-heptoxyphenyl)-6-(4-methoxyphenyl)cyclohexa-1,4-diene-1,2-dicarbonitrile Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2C#N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2C#N)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H30N2O2/c1-3-4-5-6-7-18-32-24-14-10-22(11-15-24)26-17-16-25(27(19-29)28(26)20-30)21-8-12-23(31-2)13-9-21/h8-17,25-26H,3-7,18H2,1-2H3