6-chloranyl-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one

Systemtic Name: 6-chloranyl-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one Openeye Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one CAS Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one IUPAC Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one Traditional Name: 6-chloro-2-heptyl-3-[3-[homoveratryl(methyl)amino]propyl]-2H-1,3-benzoxazin-4-one Formula: C29H41ClN2O4 MolecularWeight: 517.09984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCCN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCCN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H41ClN2O4/c1-5-6-7-8-9-11-28-32(29(33)24-21-23(30)13-15-25(24)36-28)18-10-17-31(2)19-16-22-12-14-26(34-3)27(20-22)35-4/h12-15,20-21,28H,5-11,16-19H2,1-4H3