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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-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-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H22Cl2O4 MolecularWeight: 397.29228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2O4/c21-15-4-12(5-16-17(15)25-2-1-24-16)10-26-18(23)19-6-13-3-14(7-19)9-20(22,8-13)11-19/h4-5,13-14H,1-3,6-11H2/t13-,14+,19?,20?