3-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol

Systemtic Name: 3-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol Openeye Name: 3-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol CAS Name: 3-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol IUPAC Name: 3-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol Traditional Name: 3-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol Formula: C17H31N5O MolecularWeight: 321.46094

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(NCCNCCN1)CC2=CC(=CC=C2)O

Isomeric SMILES

C1CNCCNCC(NCCNCCN1)CC2=CC(=CC=C2)O

InChI

InChI=1S/C17H31N5O/c23-17-3-1-2-15(13-17)12-16-14-21-9-8-19-5-4-18-6-7-20-10-11-22-16/h1-3,13,16,18-23H,4-12,14H2