ethyl 7-[2,3-dimethoxy-6-(piperazin-1-ylmethyl)phenoxy]heptanoate dihydrochloride

Systemtic Name: ethyl 7-[2,3-dimethoxy-6-(piperazin-1-ylmethyl)phenoxy]heptanoate dihydrochloride Openeye Name: ethyl 7-[2,3-dimethoxy-6-(piperazin-1-ylmethyl)phenoxy]heptanoate dihydrochloride CAS Name: 7-[2,3-dimethoxy-6-(1-piperazinylmethyl)phenoxy]heptanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 7-[2,3-dimethoxy-6-(piperazin-1-ylmethyl)phenoxy]heptanoate dihydrochloride Traditional Name: 7-[2,3-dimethoxy-6-(piperazinomethyl)phenoxy]enanthic acid ethyl ester dihydrochloride Formula: C22H38Cl2N2O5 MolecularWeight: 481.45352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCNCC2.Cl.Cl

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCNCC2.Cl.Cl

InChI

InChI=1S/C22H36N2O5.2ClH/c1-4-28-20(25)9-7-5-6-8-16-29-21-18(17-24-14-12-23-13-15-24)10-11-19(26-2)22(21)27-3;;/h10-11,23H,4-9,12-17H2,1-3H3;2*1H