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

Systemtic Name: methyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate Openeye Name: methyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate CAS Name: 2-[4-(2-phenylethynyl)phenyl]-1-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylate Traditional Name: 2-[4-(2-phenylethynyl)phenyl]benzimidazole-1-carboxylic acid methyl ester Formula: C23H16N2O2 MolecularWeight: 352.38534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O2/c1-27-23(26)25-21-10-6-5-9-20(21)24-22(25)19-15-13-18(14-16-19)12-11-17-7-3-2-4-8-17/h2-10,13-16H,1H3