[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C20H24N4O5/c1-3-28-16-6-5-15(13-17(16)27-2)19(26)29-14-18(25)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h4-8,13H,3,9-12,14H2,1-2H3