6-[6-[2-(2-ethoxyphenyl)ethyl-methyl-amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-[6-[2-(2-ethoxyphenyl)ethyl-methyl-amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[6-[2-(2-ethoxyphenyl)ethyl-methyl-amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[6-[2-(2-ethoxyphenyl)ethyl-methylamino]-1-oxohexyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[6-[2-(2-ethoxyphenyl)ethyl-methylamino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[6-[methyl(2-o-phenetylethyl)amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCN(C)CCCCCC(=O)C2=CC3=C(C=C2)OCC(=O)N3.Cl

Isomeric SMILES

CCOC1=CC=CC=C1CCN(C)CCCCCC(=O)C2=CC3=C(C=C2)OCC(=O)N3.Cl

InChI

InChI=1S/C25H32N2O4.ClH/c1-3-30-23-11-7-6-9-19(23)14-16-27(2)15-8-4-5-10-22(28)20-12-13-24-21(17-20)26-25(29)18-31-24;/h6-7,9,11-13,17H,3-5,8,10,14-16,18H2,1-2H3,(H,26,29);1H