[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H35NO4/c1-5-23(2,3)26-21(27)15-30-22(28)25-13-17-10-18(14-25)12-24(11-17,16-25)19-6-8-20(29-4)9-7-19/h6-9,17-18H,5,10-16H2,1-4H3,(H,26,27)