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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid piperonyl ester Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H22O5/c20-17(22-9-12-1-2-15-16(4-12)24-11-23-15)18-5-13-3-14(6-18)8-19(21,7-13)10-18/h1-2,4,13-14,21H,3,5-11H2/t13-,14+,18?,19?