[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-4-24(2,3)27-21(28)15-31-22(29)19-5-7-20(8-6-19)26-23(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h5-8,16-18H,4,9-15H2,1-3H3,(H,26,30)(H,27,28)