5-oxidanyl-8-[2-(propan-2-ylamino)butanoyl]-4H-1,4-benzoxazin-3-one dihydrate hydrochloride

Systemtic Name: 5-oxidanyl-8-[2-(propan-2-ylamino)butanoyl]-4H-1,4-benzoxazin-3-one dihydrate hydrochloride Openeye Name: 5-hydroxy-8-[2-(isopropylamino)butanoyl]-4H-1,4-benzoxazin-3-one dihydrate hydrochloride CAS Name: 5-hydroxy-8-[1-oxo-2-(propan-2-ylamino)butyl]-4H-1,4-benzoxazin-3-one dihydrate hydrochloride IUPAC Name: 5-hydroxy-8-[2-(propan-2-ylamino)butanoyl]-4H-1,4-benzoxazin-3-one dihydrate hydrochloride Traditional Name: 5-hydroxy-8-[2-(isopropylamino)butanoyl]-4H-1,4-benzoxazin-3-one dihydrate hydrochloride Formula: C15H25ClN2O6 MolecularWeight: 364.8218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C2C(=C(C=C1)O)NC(=O)CO2)NC(C)C.O.O.Cl

Isomeric SMILES

CCC(C(=O)C1=C2C(=C(C=C1)O)NC(=O)CO2)NC(C)C.O.O.Cl

InChI

InChI=1S/C15H20N2O4.ClH.2H2O/c1-4-10(16-8(2)3)14(20)9-5-6-11(18)13-15(9)21-7-12(19)17-13;;;/h5-6,8,10,16,18H,4,7H2,1-3H3,(H,17,19);1H;2*1H2