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

Systemtic Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxidanidyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate Openeye Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate CAS Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]benzoate IUPAC Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxido-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-5-keto-4-oxido-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]benzoate Formula: C28H21NO7-2 MolecularWeight: 483.46884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)[O-])[O-])C(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)[O-])[O-])C(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C28H23NO7/c1-35-22-14-12-18(16-23(22)36-2)25-24(21(30)13-11-17-7-4-3-5-8-17)26(31)27(32)29(25)20-10-6-9-19(15-20)28(33)34/h3-16,25,31H,1-2H3,(H,33,34)/p-2/b13-11+/t25-/m1/s1