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

Systemtic Name: ethyl 4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoate dihydrochloride Openeye Name: ethyl 4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoate dihydrochloride CAS Name: 4-[2,3-dimethoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoate dihydrochloride Traditional Name: 4-[2,3-dimethoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenoxy]butyric acid ethyl ester dihydrochloride Formula: C23H34Cl2N4O5 MolecularWeight: 517.44586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

InChI

InChI=1S/C23H32N4O5.2ClH/c1-4-31-20(28)7-5-16-32-21-18(8-9-19(29-2)22(21)30-3)17-26-12-14-27(15-13-26)23-24-10-6-11-25-23;;/h6,8-11H,4-5,7,12-17H2,1-3H3;2*1H