tert-butyl 5-(6-bromanyl-5-ethenoxy-pyridin-3-yl)-1,5-diazocane-1-carboxylate

Systemtic Name: tert-butyl 5-(6-bromanyl-5-ethenoxy-pyridin-3-yl)-1,5-diazocane-1-carboxylate Openeye Name: tert-butyl 5-(6-bromo-5-vinyloxy-3-pyridyl)-1,5-diazocane-1-carboxylate CAS Name: 5-(6-bromo-5-ethenoxy-3-pyridinyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(6-bromo-5-ethenoxypyridin-3-yl)-1,5-diazocane-1-carboxylate Traditional Name: 5-(6-bromo-5-vinyloxy-3-pyridyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester Formula: C18H26BrN3O3 MolecularWeight: 412.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CC(=C(N=C2)Br)OC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CC(=C(N=C2)Br)OC=C

InChI

InChI=1S/C18H26BrN3O3/c1-5-24-15-12-14(13-20-16(15)19)21-8-6-10-22(11-7-9-21)17(23)25-18(2,3)4/h5,12-13H,1,6-11H2,2-4H3