3-(1H-benzimidazol-2-yl)propyl adamantane-1-carboxylate

Systemtic Name: 3-(1H-benzimidazol-2-yl)propyl adamantane-1-carboxylate Openeye Name: 3-(1H-benzimidazol-2-yl)propyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 3-(1H-benzimidazol-2-yl)propyl ester IUPAC Name: 3-(1H-benzimidazol-2-yl)propyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 3-(1H-benzimidazol-2-yl)propyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H26N2O2/c24-20(21-11-14-8-15(12-21)10-16(9-14)13-21)25-7-3-6-19-22-17-4-1-2-5-18(17)23-19/h1-2,4-5,14-16H,3,6-13H2,(H,22,23)