3-[3-[methyl(phenethyl)amino]propyl]-2-undecyl-2H-1,3-benzoxazin-4-one hydrochloride

Systemtic Name: 3-[3-[methyl(phenethyl)amino]propyl]-2-undecyl-2H-1,3-benzoxazin-4-one hydrochloride Openeye Name: 3-[3-[methyl(phenethyl)amino]propyl]-2-undecyl-2H-1,3-benzoxazin-4-one hydrochloride CAS Name: 3-[3-[methyl(phenethyl)amino]propyl]-2-undecyl-2H-1,3-benzoxazin-4-one hydrochloride IUPAC Name: 3-[3-[methyl(phenethyl)amino]propyl]-2-undecyl-2H-1,3-benzoxazin-4-one hydrochloride Traditional Name: 3-[3-[methyl(phenethyl)amino]propyl]-2-undecyl-2H-1,3-benzoxazin-4-one hydrochloride Formula: C31H47ClN2O2 MolecularWeight: 515.17008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1N(C(=O)C2=CC=CC=C2O1)CCCN(C)CCC3=CC=CC=C3.Cl

Isomeric SMILES

CCCCCCCCCCCC1N(C(=O)C2=CC=CC=C2O1)CCCN(C)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C31H46N2O2.ClH/c1-3-4-5-6-7-8-9-10-14-22-30-33(31(34)28-20-15-16-21-29(28)35-30)25-17-24-32(2)26-23-27-18-12-11-13-19-27;/h11-13,15-16,18-21,30H,3-10,14,17,22-26H2,1-2H3;1H