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

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-methylphenyl)carbonyloxyadamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-methylbenzoyl)oxyadamantane-1-carboxylate CAS Name: 3-[(4-methylphenyl)-oxomethoxy]-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-methylbenzoyl)oxyadamantane-1-carboxylate Traditional Name: 3-p-toluoyloxyadamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC23CC4CC(C2)CC(C4)(C3)C(=O)OC5=C(NC=N5)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC23CC4CC(C2)CC(C4)(C3)C(=O)OC5=C(NC=N5)C(=O)N

InChI

InChI=1S/C23H25N3O5/c1-13-2-4-16(5-3-13)20(28)31-23-9-14-6-15(10-23)8-22(7-14,11-23)21(29)30-19-17(18(24)27)25-12-26-19/h2-5,12,14-15H,6-11H2,1H3,(H2,24,27)(H,25,26)