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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H22ClNO3 MolecularWeight: 323.81448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C17H22ClNO3/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/t12-,13+,16?,17?