(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C17H22BrNO3/c1-10-14(11(2)22-19-10)8-21-15(20)16-4-12-3-13(5-16)7-17(18,6-12)9-16/h12-13H,3-9H2,1-2H3