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

Systemtic Name: ethyl 4-[6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoate dihydrochloride Openeye Name: ethyl 4-[6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoate dihydrochloride CAS Name: 4-[6-[(4-cyclohexyl-1-piperazinyl)methyl]-2,3-dimethoxyphenoxy]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]butanoate dihydrochloride Traditional Name: 4-[6-[(4-cyclohexylpiperazino)methyl]-2,3-dimethoxy-phenoxy]butyric acid ethyl ester dihydrochloride Formula: C25H42Cl2N2O5 MolecularWeight: 521.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3CCCCC3.Cl.Cl

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3CCCCC3.Cl.Cl

InChI

InChI=1S/C25H40N2O5.2ClH/c1-4-31-23(28)11-8-18-32-24-20(12-13-22(29-2)25(24)30-3)19-26-14-16-27(17-15-26)21-9-6-5-7-10-21;;/h12-13,21H,4-11,14-19H2,1-3H3;2*1H