5-oxidanyl-8-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 5-oxidanyl-8-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 5-hydroxy-8-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 5-hydroxy-8-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 5-hydroxy-8-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 5-hydroxy-8-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=CC(=C2O1)C(CNCCCCCCOCCCCC3=CC=CC=C3)O)O

Isomeric SMILES

C1C(=O)NC2=C(C=CC(=C2O1)C(CNCCCCCCOCCCCC3=CC=CC=C3)O)O

InChI

InChI=1S/C26H36N2O5/c29-22-14-13-21(26-25(22)28-24(31)19-33-26)23(30)18-27-15-7-1-2-8-16-32-17-9-6-12-20-10-4-3-5-11-20/h3-5,10-11,13-14,23,27,29-30H,1-2,6-9,12,15-19H2,(H,28,31)