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

Systemtic Name: 6-chloranyl-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one Openeye Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one CAS Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one IUPAC Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-heptyl-2H-1,3-benzoxazin-4-one Traditional Name: 6-chloro-2-heptyl-3-[3-(homoveratrylamino)propyl]-2H-1,3-benzoxazin-4-one Formula: C28H39ClN2O4 MolecularWeight: 503.07326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCCNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCCNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H39ClN2O4/c1-4-5-6-7-8-10-27-31(28(32)23-20-22(29)12-14-24(23)35-27)18-9-16-30-17-15-21-11-13-25(33-2)26(19-21)34-3/h11-14,19-20,27,30H,4-10,15-18H2,1-3H3