3-phenylmethoxy-1,5,9-triazacyclododecane

Systemtic Name: 3-phenylmethoxy-1,5,9-triazacyclododecane Openeye Name: 3-benzyloxy-1,5,9-triazacyclododecane CAS Name: 3-phenylmethoxy-1,5,9-triazacyclododecane IUPAC Name: 3-phenylmethoxy-1,5,9-triazacyclododecane Traditional Name: 3-benzoxy-1,5,9-triazacyclododecane Formula: C16H27N3O MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCNCC(CNC1)OCC2=CC=CC=C2

Isomeric SMILES

C1CNCCCNCC(CNC1)OCC2=CC=CC=C2

InChI

InChI=1S/C16H27N3O/c1-2-6-15(7-3-1)14-20-16-12-18-10-4-8-17-9-5-11-19-13-16/h1-3,6-7,16-19H,4-5,8-14H2