ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate dihydrochloride

Systemtic Name: ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate dihydrochloride Openeye Name: ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate dihydrochloride CAS Name: 7-[2,3-dimethoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]heptanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate dihydrochloride Traditional Name: 7-[2,3-dimethoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenoxy]enanthic acid ethyl ester dihydrochloride Formula: C26H40Cl2N4O5 MolecularWeight: 559.5256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl

InChI

InChI=1S/C26H38N4O5.2ClH/c1-4-34-23(31)10-7-5-6-8-19-35-24-21(11-12-22(32-2)25(24)33-3)20-29-15-17-30(18-16-29)26-27-13-9-14-28-26;;/h9,11-14H,4-8,10,15-20H2,1-3H3;2*1H