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

Systemtic Name: 3-[(2R)-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[(2R)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[(2R)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[(2R)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[(5R)-3-hydroxy-2-keto-5-(3-methoxyphenyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]benzoic acid Formula: C27H21NO6 MolecularWeight: 455.45874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO6/c1-34-21-12-6-9-18(16-21)24-23(22(29)14-13-17-7-3-2-4-8-17)25(30)26(31)28(24)20-11-5-10-19(15-20)27(32)33/h2-16,24,30H,1H3,(H,32,33)/b14-13+/t24-/m1/s1