3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-chloranyladamantane-1-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCCCN4C5=CC=CC=C5NC4=O

InChI

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