(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)Cl)OC1

InChI

InChI=1S/C21H25ClO5/c22-16-5-13(6-17-18(16)26-3-1-2-25-17)11-27-19(23)20-7-14-4-15(8-20)10-21(24,9-14)12-20/h5-6,14-15,24H,1-4,7-12H2