2-(1,5,9-triazacyclododec-1-ylmethyl)phenol

Systemtic Name: 2-(1,5,9-triazacyclododec-1-ylmethyl)phenol Openeye Name: 2-(1,5,9-triazacyclododec-1-ylmethyl)phenol CAS Name: 2-(1,5,9-triazacyclododec-1-ylmethyl)phenol IUPAC Name: 2-(1,5,9-triazacyclododec-1-ylmethyl)phenol Traditional Name: 2-(1,5,9-triazacyclododec-1-ylmethyl)phenol Formula: C16H27N3O MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCNC1)CC2=CC=CC=C2O

Isomeric SMILES

C1CNCCCN(CCCNC1)CC2=CC=CC=C2O

InChI

InChI=1S/C16H27N3O/c20-16-7-2-1-6-15(16)14-19-12-4-10-17-8-3-9-18-11-5-13-19/h1-2,6-7,17-18,20H,3-5,8-14H2