4-[(3E)-3-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(3E)-3-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[(3E)-3-[[5-(4-ethoxycarbonylphenyl)-2-furyl]methylene]-2-oxo-5-phenyl-pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[(3E)-3-[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methylidene]-2-oxo-5-phenyl-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[(3E)-3-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[(3E)-3-[[5-(4-carbethoxyphenyl)-2-furyl]methylene]-2-keto-5-phenyl-2-pyrrolin-1-yl]-2-hydroxy-benzoic acid Formula: C31H23NO7 MolecularWeight: 521.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C=C(N(C3=O)C4=CC(=C(C=C4)C(=O)O)O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C=C(N(C3=O)C4=CC(=C(C=C4)C(=O)O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H23NO7/c1-2-38-31(37)21-10-8-20(9-11-21)28-15-13-24(39-28)16-22-17-26(19-6-4-3-5-7-19)32(29(22)34)23-12-14-25(30(35)36)27(33)18-23/h3-18,33H,2H2,1H3,(H,35,36)/b22-16+