8-[2-[[1-(4-fluoranyl-3,5-dimethyl-phenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 8-[2-[[1-(4-fluoranyl-3,5-dimethyl-phenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one Openeye Name: 8-[2-[[2-(4-fluoro-3,5-dimethyl-phenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one CAS Name: 8-[2-[[1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one IUPAC Name: 8-[2-[[1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one Traditional Name: 8-[2-[[2-(4-fluoro-3,5-dimethyl-phenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1F)C)CC(C)(C)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O

Isomeric SMILES

CC1=CC(=CC(=C1F)C)CC(C)(C)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O

InChI

InChI=1S/C22H27FN2O4/c1-12-5-14(6-13(2)20(12)23)9-22(3,4)24-10-18(27)16-7-15(26)8-17-21(16)29-11-19(28)25-17/h5-8,18,24,26-27H,9-11H2,1-4H3,(H,25,28)