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

Systemtic Name: ethyl 4-[2,3-dimethoxy-6-[(4-phenylpiperazin-1-yl)methyl]phenoxy]butanoate dihydrochloride Openeye Name: ethyl 4-[2,3-dimethoxy-6-[(4-phenylpiperazin-1-yl)methyl]phenoxy]butanoate dihydrochloride CAS Name: 4-[2,3-dimethoxy-6-[(4-phenyl-1-piperazinyl)methyl]phenoxy]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[2,3-dimethoxy-6-[(4-phenylpiperazin-1-yl)methyl]phenoxy]butanoate dihydrochloride Traditional Name: 4-[2,3-dimethoxy-6-[(4-phenylpiperazino)methyl]phenoxy]butyric acid ethyl ester dihydrochloride Formula: C25H36Cl2N2O5 MolecularWeight: 515.46974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O5.2ClH/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;;/h5-7,9-10,12-13H,4,8,11,14-19H2,1-3H3;2*1H