ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(1-oxohexyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hexanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-caproyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(NC(=C1C)C(=O)OCC)C

Isomeric SMILES

CCCCCC(=O)C1=C(NC(=C1C)C(=O)OCC)C

InChI

InChI=1S/C15H23NO3/c1-5-7-8-9-12(17)13-10(3)14(16-11(13)4)15(18)19-6-2/h16H,5-9H2,1-4H3