ethyl 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoate dihydrochloride

Systemtic Name: ethyl 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoate dihydrochloride Openeye Name: ethyl 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoate dihydrochloride CAS Name: 4-[6-[(4-heptyl-1-piperazinyl)methyl]-2,3-dimethoxyphenoxy]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]butanoate dihydrochloride Traditional Name: 4-[6-[(4-heptylpiperazino)methyl]-2,3-dimethoxy-phenoxy]butyric acid ethyl ester dihydrochloride Formula: C26H46Cl2N2O5 MolecularWeight: 537.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OCCCC(=O)OCC.Cl.Cl

Isomeric SMILES

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OCCCC(=O)OCC.Cl.Cl

InChI

InChI=1S/C26H44N2O5.2ClH/c1-5-7-8-9-10-15-27-16-18-28(19-17-27)21-22-13-14-23(30-3)26(31-4)25(22)33-20-11-12-24(29)32-6-2;;/h13-14H,5-12,15-21H2,1-4H3;2*1H