[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O4/c1-2-3-20-14(22)9-21-15(23)10-25-16(24)17-5-12-4-13(6-17)8-18(19,7-12)11-17/h12-13H,2-11H2,1H3,(H,20,22)(H,21,23)/t12-,13-,17?,18?/m0/s1