(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H23ClO5 MolecularWeight: 378.84662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C20H23ClO5/c21-15-4-12(5-16-17(15)25-2-1-24-16)10-26-18(22)19-6-13-3-14(7-19)9-20(23,8-13)11-19/h4-5,13-14,23H,1-3,6-11H2/t13-,14+,19?,20?