3-[4-(4-heptoxyphenyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[4-(4-heptoxyphenyl)phenyl]-6-propyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[4-(4-heptoxyphenyl)phenyl]-6-propyl-phthalonitrile CAS Name: 3-[4-(4-heptoxyphenyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[4-(4-heptoxyphenyl)phenyl]-6-propylbenzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-heptoxyphenyl)phenyl]-6-propyl-phthalonitrile Formula: C30H32N2O MolecularWeight: 436.58788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C30H32N2O/c1-3-5-6-7-8-20-33-27-17-14-24(15-18-27)23-10-12-26(13-11-23)28-19-16-25(9-4-2)29(21-31)30(28)22-32/h10-19H,3-9,20H2,1-2H3