[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C22H26BrClN2O3 MolecularWeight: 481.81044

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

InChI

InChI=1S/C22H26BrClN2O3/c23-22-9-14-5-15(10-22)8-21(7-14,13-22)11-20(28)29-12-19-25-17-2-1-16(24)6-18(17)26(19)3-4-27/h1-2,6,14-15,27H,3-5,7-13H2