2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(3,5,5-trimethoxycyclohexa-1,3-dien-1-yl)hexanedinitrile

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(3,5,5-trimethoxycyclohexa-1,3-dien-1-yl)hexanedinitrile Openeye Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(3,5,5-trimethoxycyclohexa-1,3-dien-1-yl)hexanedinitrile CAS Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(3,5,5-trimethoxy-1-cyclohexa-1,3-dienyl)hexanedinitrile IUPAC Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(3,5,5-trimethoxycyclohexa-1,3-dien-1-yl)hexanedinitrile Traditional Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(3,5,5-trimethoxycyclohexa-1,3-dien-1-yl)adiponitrile Formula: C25H31BrN2O5 MolecularWeight: 519.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN2O5/c1-6-11-33-23-21(26)13-18(14-22(23)30-3)24(17-28,9-7-8-10-27)19-12-20(29-2)16-25(15-19,31-4)32-5/h12-14,16H,6-9,11,15H2,1-5H3