[2-(acetyloxymethyl)-4-[2-(tert-butylamino)ethanoyl]phenyl] adamantane-1-carboxylate

Systemtic Name: [2-(acetyloxymethyl)-4-[2-(tert-butylamino)ethanoyl]phenyl] adamantane-1-carboxylate Openeye Name: [2-(acetoxymethyl)-4-[2-(tert-butylamino)acetyl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(acetyloxymethyl)-4-[2-(tert-butylamino)-1-oxoethyl]phenyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-[2-(tert-butylamino)acetyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(acetoxymethyl)-4-[2-(tert-butylamino)acetyl]phenyl] ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35NO5/c1-16(28)31-15-21-10-20(22(29)14-27-25(2,3)4)5-6-23(21)32-24(30)26-11-17-7-18(12-26)9-19(8-17)13-26/h5-6,10,17-19,27H,7-9,11-15H2,1-4H3