[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O6/c22-16(15-1-2-17-18(4-15)27-12-26-17)10-25-19(23)9-20-5-13-3-14(6-20)8-21(24,7-13)11-20/h1-2,4,13-14,24H,3,5-12H2/t13-,14+,20?,21?