4-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]-1-oxidanyl-prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]-1-oxidanyl-prop-2-ynyl]benzoic acid Openeye Name: 4-[1-hydroxy-3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[1-hydroxy-3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[1-hydroxy-3-[(3E)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[1-hydroxy-3-[(3E)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]prop-2-ynyl]benzoic acid Formula: C24H18N2O5 MolecularWeight: 414.41012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC=C3NC2=O)C#CC(C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

COC1=C(NC=C1)/C=C/2\C3=C(C=CC=C3NC2=O)C#CC(C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C24H18N2O5/c1-31-21-11-12-25-19(21)13-17-22-15(3-2-4-18(22)26-23(17)28)9-10-20(27)14-5-7-16(8-6-14)24(29)30/h2-8,11-13,20,25,27H,1H3,(H,26,28)(H,29,30)/b17-13+