diethyl 3-methyl-5-(4-phenoxybutanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(4-phenoxybutanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(4-phenoxybutanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-4-phenoxybutoxy)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(4-phenoxybutanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-phenoxybutanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C22H27NO7/c1-4-27-21(25)19-15(3)20(22(26)28-5-2)23-17(19)14-30-18(24)12-9-13-29-16-10-7-6-8-11-16/h6-8,10-11,23H,4-5,9,12-14H2,1-3H3