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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H23BrN4O2 MolecularWeight: 383.28342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C16H23BrN4O2/c1-2-3-21-13(18-19-20-21)9-23-14(22)15-5-11-4-12(6-15)8-16(17,7-11)10-15/h11-12H,2-10H2,1H3/t11-,12+,15?,16?