(5-phenyl-1,3-oxazol-2-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (5-phenyloxazol-2-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (5-phenyloxazol-2-yl)methyl ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=NC=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=NC=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C21H22BrNO3/c22-21-9-14-6-15(10-21)8-20(7-14,13-21)19(24)25-12-18-23-11-17(26-18)16-4-2-1-3-5-16/h1-5,11,14-15H,6-10,12-13H2/t14-,15+,20?,21?