3-[(3Z)-7-tert-butyl-2-oxidanylidene-3-(2-oxidanylidene-1H-indol-3-ylidene)-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 3-[(3Z)-7-tert-butyl-2-oxidanylidene-3-(2-oxidanylidene-1H-indol-3-ylidene)-1-benzofuran-5-yl]propanoic acid Openeye Name: 3-[(3Z)-7-tert-butyl-2-oxo-3-(2-oxoindolin-3-ylidene)benzofuran-5-yl]propanoic acid CAS Name: 3-[(3Z)-7-tert-butyl-2-oxo-3-(2-oxo-1H-indol-3-ylidene)-5-benzofuranyl]propanoic acid IUPAC Name: 3-[(3Z)-7-tert-butyl-2-oxo-3-(2-oxo-1H-indol-3-ylidene)-1-benzofuran-5-yl]propanoic acid Traditional Name: 3-[(3Z)-7-tert-butyl-2-keto-3-(2-ketoindolin-3-ylidene)coumaran-5-yl]propionic acid Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)C(=C3C4=CC=CC=C4NC3=O)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)/C(=C/3\C4=CC=CC=C4NC3=O)/C(=O)O2

InChI

InChI=1S/C23H21NO5/c1-23(2,3)15-11-12(8-9-17(25)26)10-14-19(22(28)29-20(14)15)18-13-6-4-5-7-16(13)24-21(18)27/h4-7,10-11H,8-9H2,1-3H3,(H,24,27)(H,25,26)/b19-18-