[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O5/c1-28-18-7-5-6-17(22(18)29-2)9-10-21(27)30-16-20(26)25-14-12-24(13-15-25)19-8-3-4-11-23-19/h3-8,11H,9-10,12-16H2,1-2H3