ethyl 4-heptanoyl-5-iodanyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-heptanoyl-5-iodanyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-heptanoyl-5-iodo-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-4-(1-oxoheptyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-heptanoyl-5-iodo-1H-pyrrole-2-carboxylate Traditional Name: 4-enanthyl-5-iodo-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H20INO3 MolecularWeight: 377.21797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=C(NC(=C1)C(=O)OCC)I

Isomeric SMILES

CCCCCCC(=O)C1=C(NC(=C1)C(=O)OCC)I

InChI

InChI=1S/C14H20INO3/c1-3-5-6-7-8-12(17)10-9-11(16-13(10)15)14(18)19-4-2/h9,16H,3-8H2,1-2H3