O4-ethyl O2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H26N4O5/c1-4-29-20(27)18-14(2)19(23-15(18)3)21(28)30-13-17(26)25-11-9-24(10-12-25)16-7-5-6-8-22-16/h5-8,23H,4,9-13H2,1-3H3