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

Systemtic Name: O2-ethyl O4-(phenylmethyl) 5-iodanyl-3-propyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-benzyl O2-ethyl 5-iodo-3-propyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-iodo-3-propyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 2-O-ethyl 5-iodo-3-propyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-iodo-3-propyl-1H-pyrrole-2,4-dicarboxylic acid O4-benzyl ester O2-ethyl ester Formula: C18H20INO4 MolecularWeight: 441.26017

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)I)C(=O)OCC

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)I)C(=O)OCC

InChI

InChI=1S/C18H20INO4/c1-3-8-13-14(16(19)20-15(13)18(22)23-4-2)17(21)24-11-12-9-6-5-7-10-12/h5-7,9-10,20H,3-4,8,11H2,1-2H3