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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

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