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

Systemtic Name: O4-ethyl O2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-oxo-2-(4-phenylpiperazin-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-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-oxo-2-(4-phenylpiperazin-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-phenylpiperazino)ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-4-29-21(27)19-15(2)20(23-16(19)3)22(28)30-14-18(26)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3