[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C21H26N4O5/c1-28-17-12-16(13-18(14-17)29-2)4-5-20(27)30-15-19(26)24-8-10-25(11-9-24)21-22-6-3-7-23-21/h3,6-7,12-14H,4-5,8-11,15H2,1-2H3