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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (5R,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (5R,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5R,7R)-3-bromo-1-adamantanecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (5R,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5R,7R)-3-bromoadamantane-1-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1CC1NC(=O)COC(=O)C23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C16H22BrNO3/c17-16-6-10-3-11(7-16)5-15(4-10,9-16)14(20)21-8-13(19)18-12-1-2-12/h10-12H,1-9H2,(H,18,19)/t10-,11-,15?,16?/m1/s1