6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate

Systemtic Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]hexanoate Formula: C26H24NO7- MolecularWeight: 462.47126

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(=C(C(=O)N3CCCCCC(=O)[O-])O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]3C(=C(C(=O)N3CCCCCC(=O)[O-])O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H25NO7/c28-19(12-10-17-7-3-1-4-8-17)23-24(18-11-13-20-21(15-18)34-16-33-20)27(26(32)25(23)31)14-6-2-5-9-22(29)30/h1,3-4,7-8,10-13,15,24,31H,2,5-6,9,14,16H2,(H,29,30)/p-1/b12-10+/t24-/m0/s1