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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=NOC(=C4)C5=CC=CC=C5

InChI

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