4-[6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]-4-oxidanylidene-butanoic acid dihydrochloride

Systemtic Name: 4-[6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]-4-oxidanylidene-butanoic acid dihydrochloride Openeye Name: 4-[6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]-4-oxo-butanoic acid dihydrochloride CAS Name: 4-[6-[(4-ethyl-1-piperazinyl)methyl]-2,3-dimethoxyphenoxy]-4-oxobutanoic acid dihydrochloride IUPAC Name: 4-[6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]-4-oxobutanoic acid dihydrochloride Traditional Name: 4-[6-[(4-ethylpiperazino)methyl]-2,3-dimethoxy-phenoxy]-4-keto-butyric acid dihydrochloride Formula: C19H30Cl2N2O6 MolecularWeight: 453.3573

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)CCC(=O)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)CCC(=O)O.Cl.Cl

InChI

InChI=1S/C19H28N2O6.2ClH/c1-4-20-9-11-21(12-10-20)13-14-5-6-15(25-2)19(26-3)18(14)27-17(24)8-7-16(22)23;;/h5-6H,4,7-13H2,1-3H3,(H,22,23);2*1H