(5-methyl-1,2-oxazol-3-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (5-methylisoxazol-3-yl)methyl ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC(=NO1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C17H22BrNO3/c1-11-2-14(19-22-11)9-21-15(20)8-16-4-12-3-13(5-16)7-17(18,6-12)10-16/h2,12-13H,3-10H2,1H3/t12-,13+,16?,17?