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

Systemtic Name: O4-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: 4-O-[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(4-butyramidophenyl)-2-keto-ethyl] ester O2-ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C22H26N2O6/c1-5-7-18(26)24-16-10-8-15(9-11-16)17(25)12-30-21(27)19-13(3)20(23-14(19)4)22(28)29-6-2/h8-11,23H,5-7,12H2,1-4H3,(H,24,26)