(5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OC5=C(NC=N5)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OC5=C(NC=N5)C(=O)N

InChI

InChI=1S/C22H25N3O4/c1-28-16-4-2-15(3-5-16)21-7-13-6-14(8-21)10-22(9-13,11-21)20(27)29-19-17(18(23)26)24-12-25-19/h2-5,12-14H,6-11H2,1H3,(H2,23,26)(H,24,25)