1,2,2,3-tetrakis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,2,2,3-tetrakis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1,2,2,3-tetrakis(p-tolylmethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,2,2,3-tetrakis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,2,2,3-tetrakis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1,2,2,3-tetrakis(4-methylbenzyl)-1,4,7,10-tetrazacyclododecane Formula: C40H52N4 MolecularWeight: 588.86768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(N(CCNCCNCCN2)CC3=CC=C(C=C3)C)(CC4=CC=C(C=C4)C)CC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2C(N(CCNCCNCCN2)CC3=CC=C(C=C3)C)(CC4=CC=C(C=C4)C)CC5=CC=C(C=C5)C

InChI

InChI=1S/C40H52N4/c1-31-5-13-35(14-6-31)27-39-40(28-36-15-7-32(2)8-16-36,29-37-17-9-33(3)10-18-37)44(30-38-19-11-34(4)12-20-38)26-25-42-22-21-41-23-24-43-39/h5-20,39,41-43H,21-30H2,1-4H3