1,4,8,11-tetrakis(4-methoxy-3-methyl-phenyl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1,4,8,11-tetrakis(4-methoxy-3-methyl-phenyl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,4,8,11-tetrakis(4-methoxy-3-methyl-phenyl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,4,8,11-tetrakis(4-methoxy-3-methylphenyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,4,8,11-tetrakis(4-methoxy-3-methylphenyl)-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,4,8,11-tetrakis(4-methoxy-3-methyl-phenyl)-1,4,8,11-tetrazacyclotetradecane Formula: C42H56N4O4 MolecularWeight: 680.91844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CCN(CCCN(CC2)C3=CC(=C(C=C3)OC)C)C4=CC(=C(C=C4)OC)C)C5=CC(=C(C=C5)OC)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CCN(CCCN(CC2)C3=CC(=C(C=C3)OC)C)C4=CC(=C(C=C4)OC)C)C5=CC(=C(C=C5)OC)C)OC

InChI

InChI=1S/C42H56N4O4/c1-31-27-35(11-15-39(31)47-5)43-19-9-20-45(37-13-17-41(49-7)33(3)29-37)25-26-46(38-14-18-42(50-8)34(4)30-38)22-10-21-44(24-23-43)36-12-16-40(48-6)32(2)28-36/h11-18,27-30H,9-10,19-26H2,1-8H3