tert-butyl 5-(5-methoxypyridin-3-yl)-1,5-diazocane-1-carboxylate

Systemtic Name: tert-butyl 5-(5-methoxypyridin-3-yl)-1,5-diazocane-1-carboxylate Openeye Name: tert-butyl 5-(5-methoxy-3-pyridyl)-1,5-diazocane-1-carboxylate CAS Name: 5-(5-methoxy-3-pyridinyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(5-methoxypyridin-3-yl)-1,5-diazocane-1-carboxylate Traditional Name: 5-(5-methoxy-3-pyridyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CC(=CN=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CC(=CN=C2)OC

InChI

InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-9-5-7-19(8-6-10-20)14-11-15(22-4)13-18-12-14/h11-13H,5-10H2,1-4H3