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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24BrNO5/c22-21-7-13-3-14(8-21)6-20(5-13,11-21)9-19(25)26-10-18(24)23-15-1-2-16-17(4-15)28-12-27-16/h1-2,4,13-14H,3,5-12H2,(H,23,24)