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

Systemtic Name: 6-[6-[2-(3-methoxyphenyl)ethyl-methyl-amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[6-[2-(3-methoxyphenyl)ethyl-methyl-amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[6-[2-(3-methoxyphenyl)ethyl-methylamino]-1-oxohexyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[6-[2-(3-methoxyphenyl)ethyl-methylamino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[6-[2-(3-methoxyphenyl)ethyl-methyl-amino]hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)CCC3=CC(=CC=C3)OC.Cl

Isomeric SMILES

CN(CCCCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)CCC3=CC(=CC=C3)OC.Cl

InChI

InChI=1S/C24H30N2O4.ClH/c1-26(14-12-18-7-6-8-20(15-18)29-2)13-5-3-4-9-22(27)19-10-11-23-21(16-19)25-24(28)17-30-23;/h6-8,10-11,15-16H,3-5,9,12-14,17H2,1-2H3,(H,25,28);1H