(2S)-2-(2,5-dimethoxyphenyl)-3-ethanoyl-1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(2,5-dimethoxyphenyl)-3-ethanoyl-1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-1-(3-morpholinopropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(2,5-dimethoxyphenyl)-2-keto-1-(3-morpholinopropyl)-3-pyrrolin-3-olate Formula: C21H27N2O6- MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=C(C=CC(=C2)OC)OC)CCCN3CCOCC3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=C(C=CC(=C2)OC)OC)CCCN3CCOCC3)[O-]

InChI

InChI=1S/C21H28N2O6/c1-14(24)18-19(16-13-15(27-2)5-6-17(16)28-3)23(21(26)20(18)25)8-4-7-22-9-11-29-12-10-22/h5-6,13,19,25H,4,7-12H2,1-3H3/p-1/t19-/m0/s1