8-[[4-(1-oxa-4,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,11-triazacyclotetradecane

Systemtic Name: 8-[[4-(1-oxa-4,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,11-triazacyclotetradecane Openeye Name: 8-[[4-(1-oxa-4,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,11-triazacyclotetradecane CAS Name: 8-[[4-(1-oxa-4,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,11-triazacyclotetradecane IUPAC Name: 8-[[4-(1-oxa-4,8,11-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,11-triazacyclotetradecane Traditional Name: 8-[4-(1-oxa-4,8,11-triazacyclotetradec-8-ylmethyl)benzyl]-1-oxa-4,8,11-triazacyclotetradecane Formula: C28H52N6O2 MolecularWeight: 504.75148

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCOCCCNCCN(C1)CC2=CC=C(C=C2)CN3CCCNCCOCCCNCC3

Isomeric SMILES

C1CNCCOCCCNCCN(C1)CC2=CC=C(C=C2)CN3CCCNCCOCCCNCC3

InChI

InChI=1S/C28H52N6O2/c1-9-31-15-23-35-21-3-11-29-13-19-33(17-1)25-27-5-7-28(8-6-27)26-34-18-2-10-32-16-24-36-22-4-12-30-14-20-34/h5-8,29-32H,1-4,9-26H2