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

Systemtic Name: ethyl 4-heptanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-heptanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(1-oxoheptyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-heptanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-enanthyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-5-7-8-9-10-13(18)14-11(3)15(17-12(14)4)16(19)20-6-2/h17H,5-10H2,1-4H3