5-[[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanylidene-pentyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 5-[[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanylidene-pentyl]amino]-3H-2-benzofuran-1-one Openeye Name: 5-[[4-(5-fluoro-2-methoxy-phenyl)-4-methyl-2-oxo-pentyl]amino]-3H-isobenzofuran-1-one CAS Name: 5-[[4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-oxopentyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 5-[[4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-oxopentyl]amino]-3H-2-benzofuran-1-one Traditional Name: 5-[[4-(5-fluoro-2-methoxy-phenyl)-2-keto-4-methyl-pentyl]amino]phthalide Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4/c1-21(2,18-9-14(22)4-7-19(18)26-3)10-16(24)11-23-15-5-6-17-13(8-15)12-27-20(17)25/h4-9,23H,10-12H2,1-3H3