(4-iodophenyl)methyl adamantane-1-carboxylate

Systemtic Name: (4-iodophenyl)methyl adamantane-1-carboxylate Openeye Name: (4-iodophenyl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (4-iodophenyl)methyl ester IUPAC Name: (4-iodophenyl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-iodobenzyl) ester Formula: C18H21IO2 MolecularWeight: 396.26261

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=C(C=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=C(C=C4)I

InChI

InChI=1S/C18H21IO2/c19-16-3-1-12(2-4-16)11-21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2