8-[2-[(2-methyl-4-phenyl-butyl)amino]-1-oxidanyl-ethyl]-5-oxidanyl-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 8-[2-[(2-methyl-4-phenyl-butyl)amino]-1-oxidanyl-ethyl]-5-oxidanyl-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 5-hydroxy-8-[1-hydroxy-2-[(2-methyl-4-phenyl-butyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 5-hydroxy-8-[1-hydroxy-2-[(2-methyl-4-phenylbutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 5-hydroxy-8-[1-hydroxy-2-[(2-methyl-4-phenylbutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 5-hydroxy-8-[1-hydroxy-2-[(2-methyl-4-phenyl-butyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)CNCC(C2=C3C(=C(C=C2)O)NC(=O)CO3)O.Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)CNCC(C2=C3C(=C(C=C2)O)NC(=O)CO3)O.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c1-14(7-8-15-5-3-2-4-6-15)11-22-12-18(25)16-9-10-17(24)20-21(16)27-13-19(26)23-20;/h2-6,9-10,14,18,22,24-25H,7-8,11-13H2,1H3,(H,23,26);1H