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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H24BrNO3/c1-14-18(24-19(27-14)17-5-3-2-4-6-17)12-26-20(25)21-8-15-7-16(9-21)11-22(23,10-15)13-21/h2-6,15-16H,7-13H2,1H3/t15-,16+,21?,22?