[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl adamantane-1-carboxylate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl adamantane-1-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

InChI

InChI=1S/C21H25ClN2O3/c22-16-1-2-17-18(8-16)24(3-4-25)19(23-17)12-27-20(26)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15,25H,3-7,9-12H2