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

Systemtic Name: O4-ethyl O2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-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-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H25N3O7/c1-4-29-20(27)17-13(2)18(22-14(17)3)21(28)31-12-16(25)23-7-9-24(10-8-23)19(26)15-6-5-11-30-15/h5-6,11,22H,4,7-10,12H2,1-3H3