[2-acetyloxy-5-[2-(tert-butylamino)ethanoyl]phenyl] adamantane-1-carboxylate; methanesulfonate

Systemtic Name: [2-acetyloxy-5-[2-(tert-butylamino)ethanoyl]phenyl] adamantane-1-carboxylate; methanesulfonate Openeye Name: [2-acetoxy-5-[2-(tert-butylamino)acetyl]phenyl] adamantane-1-carboxylate; methanesulfonate CAS Name: 1-adamantanecarboxylic acid [2-acetyloxy-5-[2-(tert-butylamino)-1-oxoethyl]phenyl] ester; methanesulfonate IUPAC Name: [2-acetyloxy-5-[2-(tert-butylamino)acetyl]phenyl] adamantane-1-carboxylate; methanesulfonate Traditional Name: adamantane-1-carboxylic acid [2-acetoxy-5-[2-(tert-butylamino)acetyl]phenyl] ester mesylate Formula: C26H36NO8S- MolecularWeight: 522.63094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)OC(=O)C23CC4CC(C2)CC(C4)C3.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)C)OC(=O)C23CC4CC(C2)CC(C4)C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H33NO5.CH4O3S/c1-15(27)30-21-6-5-19(20(28)14-26-24(2,3)4)10-22(21)31-23(29)25-11-16-7-17(12-25)9-18(8-16)13-25;1-5(2,3)4/h5-6,10,16-18,26H,7-9,11-14H2,1-4H3;1H3,(H,2,3,4)/p-1