(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)OCC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C21H25ClO5/c22-17-2-15-9-25-12-27-19(15)16(3-17)10-26-18(23)8-20-4-13-1-14(5-20)7-21(24,6-13)11-20/h2-3,13-14,24H,1,4-12H2/t13-,14+,20?,21?