8-[[4-(1-oxa-4,8,12-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,12-triazacyclotetradecane

Systemtic Name: 8-[[4-(1-oxa-4,8,12-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,12-triazacyclotetradecane Openeye Name: 8-[[4-(1-oxa-4,8,12-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,12-triazacyclotetradecane CAS Name: 8-[[4-(1-oxa-4,8,12-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,12-triazacyclotetradecane IUPAC Name: 8-[[4-(1-oxa-4,8,12-triazacyclotetradec-8-ylmethyl)phenyl]methyl]-1-oxa-4,8,12-triazacyclotetradecane Traditional Name: 8-[4-(1-oxa-4,8,12-triazacyclotetradec-8-ylmethyl)benzyl]-1-oxa-4,8,12-triazacyclotetradecane Formula: C28H52N6O2 MolecularWeight: 504.75148

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCOCCNCCCN(C1)CC2=CC=C(C=C2)CN3CCCNCCOCCNCCC3

Isomeric SMILES

C1CNCCOCCNCCCN(C1)CC2=CC=C(C=C2)CN3CCCNCCOCCNCCC3

InChI

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