(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C18H24BrNO3 MolecularWeight: 382.29206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO3/c1-11-15(12(2)23-20-11)9-22-16(21)8-17-4-13-3-14(5-17)7-18(19,6-13)10-17/h13-14H,3-10H2,1-2H3/t13-,14+,17?,18?