3-ethyl-2-(1H-pyrrol-2-ylcarbonyl)octanoate

Systemtic Name: 3-ethyl-2-(1H-pyrrol-2-ylcarbonyl)octanoate Openeye Name: 3-ethyl-2-(1H-pyrrole-2-carbonyl)octanoate CAS Name: 3-ethyl-2-[oxo(1H-pyrrol-2-yl)methyl]octanoate IUPAC Name: 3-ethyl-2-(1H-pyrrole-2-carbonyl)octanoate Traditional Name: 3-ethyl-2-(1H-pyrrole-2-carbonyl)caprylate Formula: C15H22NO3- MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CC=CN1)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CC=CN1)C(=O)[O-]

InChI

InChI=1S/C15H23NO3/c1-3-5-6-8-11(4-2)13(15(18)19)14(17)12-9-7-10-16-12/h7,9-11,13,16H,3-6,8H2,1-2H3,(H,18,19)/p-1