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

Systemtic Name: 2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Openeye Name: 2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide CAS Name: 2,4-bis(4-octoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide IUPAC Name: 2,4-bis(4-octoxyphenyl)-1-N,3-N-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Traditional Name: 2,4-bis(4-octoxyphenyl)-N,N'-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Formula: C62H66N2O4 MolecularWeight: 903.19844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H66N2O4/c1-3-5-7-9-11-19-45-67-55-41-33-51(34-42-55)57-59(61(65)63-53-37-29-49(30-38-53)27-25-47-21-15-13-16-22-47)58(52-35-43-56(44-36-52)68-46-20-12-10-8-6-4-2)60(57)62(66)64-54-39-31-50(32-40-54)28-26-48-23-17-14-18-24-48/h13-18,21-24,29-44,57-60H,3-12,19-20,45-46H2,1-2H3,(H,63,65)(H,64,66)