2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol

Systemtic Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol Openeye Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol CAS Name: 2,5-bis(1-azepanylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol IUPAC Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol Traditional Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol Formula: C38H60N2O4 MolecularWeight: 608.894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C(CCC(CN2CCCCCC2)C(C3=CC=C(C=C3)OCCC)O)CN4CCCCCC4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(C(CCC(CN2CCCCCC2)C(C3=CC=C(C=C3)OCCC)O)CN4CCCCCC4)O

InChI

InChI=1S/C38H60N2O4/c1-3-27-43-35-19-15-31(16-20-35)37(41)33(29-39-23-9-5-6-10-24-39)13-14-34(30-40-25-11-7-8-12-26-40)38(42)32-17-21-36(22-18-32)44-28-4-2/h15-22,33-34,37-38,41-42H,3-14,23-30H2,1-2H3