2-dimethylaminoethyl 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: 2-dimethylaminoethyl 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: 2-dimethylaminoethyl 2-[(5R,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 2-[(5R,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid 2-dimethylaminoethyl ester Formula: C16H26BrNO2 MolecularWeight: 344.28714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CN(C)CCOC(=O)CC12C[C@H]3C[C@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C16H26BrNO2/c1-18(2)3-4-20-14(19)10-15-6-12-5-13(7-15)9-16(17,8-12)11-15/h12-13H,3-11H2,1-2H3/t12-,13-,15?,16?/m1/s1