2,7-bis(morpholin-4-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride

Systemtic Name: 2,7-bis(morpholin-4-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Openeye Name: 2,7-bis(morpholinomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride CAS Name: 2,7-bis(4-morpholinylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride IUPAC Name: 2,7-bis(morpholin-4-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Traditional Name: 2,7-bis(morpholinomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Formula: C36H54Cl2N2O6 MolecularWeight: 681.72976

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCOCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCOCC4.Cl.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCOCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCOCC4.Cl.Cl

InChI

InChI=1S/C36H52N2O6.2ClH/c1-3-21-43-33-13-9-29(10-14-33)35(39)31(27-37-17-23-41-24-18-37)7-5-6-8-32(28-38-19-25-42-26-20-38)36(40)30-11-15-34(16-12-30)44-22-4-2;;/h9-16,31-32H,3-8,17-28H2,1-2H3;2*1H