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

Systemtic Name: 3-[(3Z)-7-tert-butyl-3-(1-methyl-2-oxidanylidene-indol-3-ylidene)-2-oxidanylidene-1-benzofuran-5-yl]propanoic acid Openeye Name: 3-[(3Z)-7-tert-butyl-3-(1-methyl-2-oxo-indolin-3-ylidene)-2-oxo-benzofuran-5-yl]propanoic acid CAS Name: 3-[(3Z)-7-tert-butyl-3-(1-methyl-2-oxo-3-indolylidene)-2-oxo-5-benzofuranyl]propanoic acid IUPAC Name: 3-[(3Z)-7-tert-butyl-3-(1-methyl-2-oxoindol-3-ylidene)-2-oxo-1-benzofuran-5-yl]propanoic acid Traditional Name: 3-[(3Z)-7-tert-butyl-2-keto-3-(2-keto-1-methyl-indolin-3-ylidene)coumaran-5-yl]propionic acid Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)C(=C3C4=CC=CC=C4N(C3=O)C)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)/C(=C/3\C4=CC=CC=C4N(C3=O)C)/C(=O)O2

InChI

InChI=1S/C24H23NO5/c1-24(2,3)16-12-13(9-10-18(26)27)11-15-20(23(29)30-21(15)16)19-14-7-5-6-8-17(14)25(4)22(19)28/h5-8,11-12H,9-10H2,1-4H3,(H,26,27)/b20-19-