2,4-bis(4-octadecoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide

Systemtic Name: 2,4-bis(4-octadecoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Openeye Name: 2,4-bis(4-octadecoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide CAS Name: 2,4-bis(4-octadecoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide IUPAC Name: 2,4-bis(4-octadecoxyphenyl)-1-N,3-N-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Traditional Name: N,N'-bis[4-(2-phenylethynyl)phenyl]-2,4-bis(4-stearyloxyphenyl)cyclobutane-1,3-dicarboxamide Formula: C82H106N2O4 MolecularWeight: 1183.73004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCCCCCCCCCCCCC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CC=C7

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCCCCCCCCCCCCC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CC=C7

InChI

InChI=1S/C82H106N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-65-87-75-61-53-71(54-62-75)77-79(81(85)83-73-57-49-69(50-58-73)47-45-67-41-35-33-36-42-67)78(80(77)82(86)84-74-59-51-70(52-60-74)48-46-68-43-37-34-38-44-68)72-55-63-76(64-56-72)88-66-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-38,41-44,49-64,77-80H,3-32,39-40,65-66H2,1-2H3,(H,83,85)(H,84,86)