4-[2-(2,5-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[2-(2,5-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid Openeye Name: 4-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid CAS Name: 4-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]butanoic acid IUPAC Name: 4-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoic acid Traditional Name: 4-[2-(2,5-dimethoxyphenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]butyric acid Formula: C25H25NO7 MolecularWeight: 451.4685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCCC(=O)O)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H25NO7/c1-32-17-11-13-20(33-2)18(15-17)23-22(19(27)12-10-16-7-4-3-5-8-16)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)/b12-10+