ethyl 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[2-chloro-4-(2-phenylethynyl)benzyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C26H21ClN2O2 MolecularWeight: 428.91014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C26H21ClN2O2/c1-3-31-26(30)21-13-14-24-25(16-21)29(18(2)28-24)17-22-12-11-20(15-23(22)27)10-9-19-7-5-4-6-8-19/h4-8,11-16H,3,17H2,1-2H3