3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2-heptyl-6,7-dimethoxy-2H-1,3-benzoxazin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2-heptyl-6,7-dimethoxy-2H-1,3-benzoxazin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2-heptyl-6,7-dimethoxy-2H-1,3-benzoxazin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2-heptyl-6,7-dimethoxy-2H-1,3-benzoxazin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2-heptyl-6,7-dimethoxy-2H-1,3-benzoxazin-4-one Traditional Name: 2-heptyl-3-[3-[homoveratryl(methyl)amino]propyl]-6,7-dimethoxy-2H-1,3-benzoxazin-4-one Formula: C31H46N2O6 MolecularWeight: 542.70674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1N(C(=O)C2=CC(=C(C=C2O1)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCC1N(C(=O)C2=CC(=C(C=C2O1)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C31H46N2O6/c1-7-8-9-10-11-13-30-33(31(34)24-21-28(37-5)29(38-6)22-26(24)39-30)18-12-17-32(2)19-16-23-14-15-25(35-3)27(20-23)36-4/h14-15,20-22,30H,7-13,16-19H2,1-6H3