dimethyl 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]propanedioate

Systemtic Name: dimethyl 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenoxy]propanedioate Openeye Name: dimethyl 2-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenoxy]propanedioate CAS Name: 2-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenoxy]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]propanedioate Traditional Name: 2-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenoxy]malonic acid dimethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)OC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C(C(=O)OC)OC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H25N3O6/c1-29-21(27)20(22(28)30-2)31-18-5-3-16(4-6-18)19(26)15-24-11-13-25(14-12-24)17-7-9-23-10-8-17/h3-10,20H,11-15H2,1-2H3