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

Systemtic Name: 8-[2-[[1-(4-chloranyl-3-methyl-phenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one Openeye Name: 8-[2-[[2-(4-chloro-3-methyl-phenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one CAS Name: 8-[2-[[1-(4-chloro-3-methylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one IUPAC Name: 8-[2-[[1-(4-chloro-3-methylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one Traditional Name: 8-[2-[[2-(4-chloro-3-methyl-phenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(C)(C)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CC(C)(C)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-12-6-13(4-5-16(12)22)9-21(2,3)23-10-18(26)15-7-14(25)8-17-20(15)28-11-19(27)24-17/h4-8,18,23,25-26H,9-11H2,1-3H3,(H,24,27)