[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c23-19(10-25-20(24)16-1-2-17-18(6-16)27-12-26-17)22-11-21-7-13-3-14(8-21)5-15(4-13)9-21/h1-2,6,13-15H,3-5,7-12H2,(H,22,23)