(2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-[(2S)-2-ethylhexyl]-2-keto-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C19H25N2O3- MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=N2

Isomeric SMILES

CCCC[C@H](CC)CN1[C@@H](C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=N2

InChI

InChI=1S/C19H26N2O3/c1-4-6-9-14(5-2)12-21-17(15-10-7-8-11-20-15)16(13(3)22)18(23)19(21)24/h7-8,10-11,14,17,23H,4-6,9,12H2,1-3H3/p-1/t14-,17+/m0/s1