2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile Openeye Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile CAS Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile IUPAC Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(3,4,5-trimethoxyphenyl)hexanedinitrile Traditional Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(3,4,5-trimethoxyphenyl)adiponitrile Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(CCCC#N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(CCCC#N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC)OC

InChI

InChI=1S/C25H29BrN2O5/c1-6-11-33-23-19(26)12-17(13-20(23)29-2)25(16-28,9-7-8-10-27)18-14-21(30-3)24(32-5)22(15-18)31-4/h12-15H,6-9,11H2,1-5H3