[2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(1-adamantyl)anilino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[4-(1-adamantyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(1-adamantyl)anilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[4-(1-adamantyl)anilino]-2-keto-ethyl] ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)COC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)COC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H27NO5/c28-24(14-30-25(29)19-1-6-22-23(10-19)32-15-31-22)27-21-4-2-20(3-5-21)26-11-16-7-17(12-26)9-18(8-16)13-26/h1-6,10,16-18H,7-9,11-15H2,(H,27,28)