4-[(2S)-2-(2,4-dimethoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate

Systemtic Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate Openeye Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate CAS Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]butanoate IUPAC Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[(2S)-2-(2,4-dimethoxyphenyl)-5-keto-4-oxido-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]butyrate Formula: C25H23NO7-2 MolecularWeight: 449.45262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCCC(=O)[O-])[O-])C(=O)C=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2C(=C(C(=O)N2CCCC(=O)[O-])[O-])C(=O)/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C25H25NO7/c1-32-17-11-12-18(20(15-17)33-2)23-22(19(27)13-10-16-7-4-3-5-8-16)24(30)25(31)26(23)14-6-9-21(28)29/h3-5,7-8,10-13,15,23,30H,6,9,14H2,1-2H3,(H,28,29)/p-2/b13-10+/t23-/m0/s1