O2-ethyl O4-(phenylmethyl) 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-(phenylmethyl) 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-benzyl O2-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 2-O-ethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-benzyl ester O2-ethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C18H21NO4/c1-4-14-15(12(3)19-16(14)18(21)22-5-2)17(20)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3