[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (5R,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (5R,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (5R,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5R,7R)-3-bromo-1-adamantanecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (5R,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5R,7R)-3-bromoadamantane-1-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H27BrN2O4 MolecularWeight: 415.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C18H27BrN2O4/c1-16(2,3)21-15(24)20-13(22)9-25-14(23)17-5-11-4-12(6-17)8-18(19,7-11)10-17/h11-12H,4-10H2,1-3H3,(H2,20,21,22,24)/t11-,12-,17?,18?/m1/s1