O2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester O4-methyl ester Formula: C24H28FN3O6 MolecularWeight: 473.494023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C)C(=O)OC

InChI

InChI=1S/C24H28FN3O6/c1-5-18-21(23(31)33-4)14(2)22(26-18)24(32)34-13-20(30)28-10-8-27(9-11-28)19-7-6-16(15(3)29)12-17(19)25/h6-7,12,26H,5,8-11,13H2,1-4H3