(5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-chlorophenyl)carbonyloxyadamantane-1-carboxylate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-chlorophenyl)carbonyloxyadamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-chlorobenzoyl)oxyadamantane-1-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethoxy]-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-chlorobenzoyl)oxyadamantane-1-carboxylate Traditional Name: 3-(4-chlorobenzoyl)oxyadamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)Cl)C(=O)OC5=C(NC=N5)C(=O)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)Cl)C(=O)OC5=C(NC=N5)C(=O)N

InChI

InChI=1S/C22H22ClN3O5/c23-15-3-1-14(2-4-15)19(28)31-22-8-12-5-13(9-22)7-21(6-12,10-22)20(29)30-18-16(17(24)27)25-11-26-18/h1-4,11-13H,5-10H2,(H2,24,27)(H,25,26)