[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4/c24-17-1-2-18-19(8-17)27(3-4-28)20(26-18)13-31-21(29)12-25-22(30)23-9-14-5-15(10-23)7-16(6-14)11-23/h1-2,8,14-16,28H,3-7,9-13H2,(H,25,30)