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

Systemtic Name: 2,4-bis(4-butoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Openeye Name: 2,4-bis(4-butoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide CAS Name: 2,4-bis(4-butoxyphenyl)-N1,N3-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide IUPAC Name: 2,4-bis(4-butoxyphenyl)-1-N,3-N-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Traditional Name: 2,4-bis(4-butoxyphenyl)-N,N'-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide Formula: C54H50N2O4 MolecularWeight: 790.9858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C5=CC=C(C=C5)OCCCC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CC=C7

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(C(C2C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C5=CC=C(C=C5)OCCCC)C(=O)NC6=CC=C(C=C6)C#CC7=CC=CC=C7

InChI

InChI=1S/C54H50N2O4/c1-3-5-37-59-47-33-25-43(26-34-47)49-51(53(57)55-45-29-21-41(22-30-45)19-17-39-13-9-7-10-14-39)50(44-27-35-48(36-28-44)60-38-6-4-2)52(49)54(58)56-46-31-23-42(24-32-46)20-18-40-15-11-8-12-16-40/h7-16,21-36,49-52H,3-6,37-38H2,1-2H3,(H,55,57)(H,56,58)