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

Systemtic Name: 8-[2-[[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 8-[2-[[1,1-dimethyl-2-(2,4,6-trimethylphenyl)ethyl]amino]-1-hydroxy-ethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-hydroxy-8-[1-hydroxy-2-[(2-mesityl-1,1-dimethyl-ethyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C23H31ClN2O4 MolecularWeight: 434.95624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4.ClH/c1-13-6-14(2)18(15(3)7-13)10-23(4,5)24-11-20(27)17-8-16(26)9-19-22(17)29-12-21(28)25-19;/h6-9,20,24,26-27H,10-12H2,1-5H3,(H,25,28);1H