8-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,12-tetrazacyclopentadecane

Systemtic Name: 8-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,12-tetrazacyclopentadecane Openeye Name: 8-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,12-tetrazacyclopentadecane CAS Name: 8-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,12-tetrazacyclopentadecane IUPAC Name: 8-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,12-tetrazacyclopentadecane Traditional Name: 8-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzyl]-1,4,8,12-tetrazacyclopentadecane Formula: C29H56N8 MolecularWeight: 516.80854

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCNCCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

Isomeric SMILES

C1CNCCCN(CCCNCCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3

InChI

InChI=1S/C29H56N8/c1-10-30-14-3-22-36(23-4-15-33-19-17-31-11-1)26-28-6-8-29(9-7-28)27-37-24-5-16-34-20-18-32-12-2-13-35-21-25-37/h6-9,30-35H,1-5,10-27H2