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

Systemtic Name: 2,4-bis(3-methoxy-4-octoxy-phenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Openeye Name: 2,4-bis(3-methoxy-4-octoxy-phenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide CAS Name: 2,4-bis(3-methoxy-4-octoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide IUPAC Name: 2,4-bis(3-methoxy-4-octoxyphenyl)-1-N,3-N-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Traditional Name: 2,4-bis(3-methoxy-4-octoxy-phenyl)-N,N'-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Formula: C64H70N2O6 MolecularWeight: 963.2504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C5=CC(=C(C=C5)OCCCCCCCC)OC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CC=C7)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C5=CC(=C(C=C5)OCCCCCCCC)OC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CC=C7)OC

InChI

InChI=1S/C64H70N2O6/c1-5-7-9-11-13-21-43-71-55-41-35-51(45-57(55)69-3)59-61(63(67)65-53-37-31-49(32-38-53)29-27-47-23-17-15-18-24-47)60(52-36-42-56(58(46-52)70-4)72-44-22-14-12-10-8-6-2)62(59)64(68)66-54-39-33-50(34-40-54)30-28-48-25-19-16-20-26-48/h15-20,23-26,31-42,45-46,59-62H,5-14,21-22,43-44H2,1-4H3,(H,65,67)(H,66,68)