ethyl 4-hexanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-hexanoyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-hexanoyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-oxohexyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hexanoyl-1H-pyrrole-2-carboxylate Traditional Name: 4-caproyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CNC(=C1)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)C1=CNC(=C1)C(=O)OCC

InChI

InChI=1S/C13H19NO3/c1-3-5-6-7-12(15)10-8-11(14-9-10)13(16)17-4-2/h8-9,14H,3-7H2,1-2H3