[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c24-19(22-7-13-3-14(8-22)5-15(4-13)9-22)11-27-20(25)10-23-21(26)16-1-2-17-18(6-16)29-12-28-17/h1-2,6,13-15H,3-5,7-12H2,(H,23,26)