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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]benzoic acid Formula: C28H23NO7 MolecularWeight: 485.48472

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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)C2C(=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)/b13-11+