5-[[4-(5-fluoranyl-2-methoxy-phenyl)-2,4-dimethyl-2-oxidanyl-pentyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 5-[[4-(5-fluoranyl-2-methoxy-phenyl)-2,4-dimethyl-2-oxidanyl-pentyl]amino]-3H-2-benzofuran-1-one Openeye Name: 5-[[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-2,4-dimethyl-pentyl]amino]-3H-isobenzofuran-1-one CAS Name: 5-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 5-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2,4-dimethylpentyl]amino]-3H-2-benzofuran-1-one Traditional Name: 5-[[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-2,4-dimethyl-pentyl]amino]phthalide Formula: C22H26FNO4 MolecularWeight: 387.444543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(CNC1=CC2=C(C=C1)C(=O)OC2)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(C)(CNC1=CC2=C(C=C1)C(=O)OC2)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H26FNO4/c1-21(2,18-10-15(23)5-8-19(18)27-4)12-22(3,26)13-24-16-6-7-17-14(9-16)11-28-20(17)25/h5-10,24,26H,11-13H2,1-4H3