(phenylmethyl) 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (phenylmethyl) 3-oxidanyladamantane-1-carboxylate Openeye Name: benzyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid benzyl ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C18H22O3/c19-16(21-11-13-4-2-1-3-5-13)17-7-14-6-15(8-17)10-18(20,9-14)12-17/h1-5,14-15,20H,6-12H2