[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H23ClN4O5 MolecularWeight: 434.87342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C20H23ClN4O5/c1-3-29-18-15(21)11-14(12-16(18)28-2)19(27)30-13-17(26)24-7-9-25(10-8-24)20-22-5-4-6-23-20/h4-6,11-12H,3,7-10,13H2,1-2H3