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

Systemtic Name: diethyl 3-methyl-5-(3-phenylpropanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-phenylpropanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(1-oxo-3-phenylpropoxy)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-phenylpropanoyloxymethyl)-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-(hydrocinnamoyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO6/c1-4-26-20(24)18-14(3)19(21(25)27-5-2)22-16(18)13-28-17(23)12-11-15-9-7-6-8-10-15/h6-10,22H,4-5,11-13H2,1-3H3