2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-pentoxyphenyl)octane-1,8-dione dihydrochloride

Systemtic Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-pentoxyphenyl)octane-1,8-dione dihydrochloride Openeye Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-pentoxyphenyl)octane-1,8-dione dihydrochloride CAS Name: 2,7-bis(1-azepanylmethyl)-1,8-bis(4-pentoxyphenyl)octane-1,8-dione dihydrochloride IUPAC Name: 2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-pentoxyphenyl)octane-1,8-dione dihydrochloride Traditional Name: 1,8-bis(4-amoxyphenyl)-2,7-bis(azepan-1-ylmethyl)octane-1,8-dione dihydrochloride Formula: C44H70Cl2N2O4 MolecularWeight: 761.9436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCCCC)CN4CCCCCC4.Cl.Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OCCCCC)CN4CCCCCC4.Cl.Cl

InChI

InChI=1S/C44H68N2O4.2ClH/c1-3-5-17-33-49-41-25-21-37(22-26-41)43(47)39(35-45-29-13-7-8-14-30-45)19-11-12-20-40(36-46-31-15-9-10-16-32-46)44(48)38-23-27-42(28-24-38)50-34-18-6-4-2;;/h21-28,39-40H,3-20,29-36H2,1-2H3;2*1H