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

Systemtic Name: diethyl 5-(2-benzamidoethanoyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-benzamidoacetyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(2-benzamido-1-oxoethoxy)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-benzamidoacetyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-(hippuroyloxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-4-28-20(26)17-13(3)18(21(27)29-5-2)23-15(17)12-30-16(24)11-22-19(25)14-9-7-6-8-10-14/h6-10,23H,4-5,11-12H2,1-3H3,(H,22,25)