3-[(2S)-3-ethanoyl-2-(4-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate

Systemtic Name: 3-[(2S)-3-ethanoyl-2-(4-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate Openeye Name: 3-[(2S)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate CAS Name: 3-[(2S)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate IUPAC Name: 3-[(2S)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate Traditional Name: 3-[(5S)-4-acetyl-3-hydroxy-2-keto-5-p-phenetyl-3-pyrrolin-1-yl]propionate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC(=O)[O-])O)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC(=O)[O-])O)C(=O)C

InChI

InChI=1S/C17H19NO6/c1-3-24-12-6-4-11(5-7-12)15-14(10(2)19)16(22)17(23)18(15)9-8-13(20)21/h4-7,15,22H,3,8-9H2,1-2H3,(H,20,21)/p-1/t15-/m0/s1