phenacyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: phenacyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: phenacyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid phenacyl ester IUPAC Name: phenacyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid phenacyl ester Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H22O4/c20-16(15-4-2-1-3-5-15)11-23-17(21)18-7-13-6-14(8-18)10-19(22,9-13)12-18/h1-5,13-14,22H,6-12H2/t13-,14+,18?,19?