3-[(3E)-3-[(3-methyl-4-morpholin-4-ylcarbonyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]benzoic acid

Systemtic Name: 3-[(3E)-3-[(3-methyl-4-morpholin-4-ylcarbonyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]benzoic acid Openeye Name: 3-[(3E)-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylene]-2-oxo-indolin-4-yl]benzoic acid CAS Name: 3-[(3E)-3-[[3-methyl-4-[4-morpholinyl(oxo)methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]benzoic acid IUPAC Name: 3-[(3E)-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-4-yl]benzoic acid Traditional Name: 3-[(3E)-2-keto-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylene]indolin-4-yl]benzoic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C(=O)N2CCOCC2)C=C3C4=C(C=CC=C4NC3=O)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(NC=C1C(=O)N2CCOCC2)/C=C/3\C4=C(C=CC=C4NC3=O)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C26H23N3O5/c1-15-20(25(31)29-8-10-34-11-9-29)14-27-22(15)13-19-23-18(6-3-7-21(23)28-24(19)30)16-4-2-5-17(12-16)26(32)33/h2-7,12-14,27H,8-11H2,1H3,(H,28,30)(H,32,33)/b19-13+