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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-1-(3-morpholin-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(3-morpholinopropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-[3-(4-morpholinyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-1-(3-morpholin-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)-2-keto-1-(3-morpholinopropyl)-3-pyrrolin-3-olate Formula: C20H23N2O6- MolecularWeight: 387.40642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CCCN4CCOCC4)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC3=C(C=C2)OCO3)CCCN4CCOCC4)[O-]

InChI

InChI=1S/C20H24N2O6/c1-13(23)17-18(14-3-4-15-16(11-14)28-12-27-15)22(20(25)19(17)24)6-2-5-21-7-9-26-10-8-21/h3-4,11,18,24H,2,5-10,12H2,1H3/p-1/t18-/m0/s1