2-[4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]-3-(methylamino)propanoic acid

Systemtic Name: 2-[4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]-3-(methylamino)propanoic acid Openeye Name: 2-[4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)phenoxy]-3-(methylamino)propanoic acid CAS Name: 2-[4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)phenoxy]-3-(methylamino)propanoic acid IUPAC Name: 2-[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenoxy]-3-(methylamino)propanoic acid Traditional Name: 2-[4-(5,7-ditert-butyl-2-keto-coumaran-3-yl)phenoxy]-3-(methylamino)propionic acid Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(C(=O)O2)C3=CC=C(C=C3)OC(CNC)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(C(=O)O2)C3=CC=C(C=C3)OC(CNC)C(=O)O)C(C)(C)C

InChI

InChI=1S/C26H33NO5/c1-25(2,3)16-12-18-21(24(30)32-22(18)19(13-16)26(4,5)6)15-8-10-17(11-9-15)31-20(14-27-7)23(28)29/h8-13,20-21,27H,14H2,1-7H3,(H,28,29)