[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H26O5/c23-20(22-9-15-5-16(10-22)7-17(6-15)11-22)12-25-21(24)4-2-14-1-3-18-19(8-14)27-13-26-18/h1,3,8,15-17H,2,4-7,9-13H2