butyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate

Systemtic Name: butyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate Openeye Name: butyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate CAS Name: 2-[4-(2-phenylethynyl)phenyl]-1-benzimidazolecarboxylic acid butyl ester IUPAC Name: butyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate Traditional Name: 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylic acid butyl ester Formula: C26H22N2O2 MolecularWeight: 394.46508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)N1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2/c1-2-3-19-30-26(29)28-24-12-8-7-11-23(24)27-25(28)22-17-15-21(16-18-22)14-13-20-9-5-4-6-10-20/h4-12,15-18H,2-3,19H2,1H3