(1-butyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H25BrN4O2 MolecularWeight: 397.31

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C17H25BrN4O2/c1-2-3-4-22-14(19-20-21-22)10-24-15(23)16-6-12-5-13(7-16)9-17(18,8-12)11-16/h12-13H,2-11H2,1H3/t12-,13+,16?,17?