5-[[4-methyl-2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 5-[[4-methyl-2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one Openeye Name: 5-[[2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl]amino]-3H-isobenzofuran-1-one CAS Name: 5-[[2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 5-[[2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl]amino]-3H-2-benzofuran-1-one Traditional Name: 5-[[2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl]amino]phthalide Formula: C21H22F3NO3 MolecularWeight: 393.39949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3NO3/c1-19(2,15-6-4-3-5-7-15)12-20(27,21(22,23)24)13-25-16-8-9-17-14(10-16)11-28-18(17)26/h3-10,25,27H,11-13H2,1-2H3