N-[3-[4-[3-[2-(5-fluoranyl-1H-indol-3-yl)ethanoylamino]propoxy]butoxy]propyl]-methyl-boronamidic acid

Systemtic Name: N-[3-[4-[3-[2-(5-fluoranyl-1H-indol-3-yl)ethanoylamino]propoxy]butoxy]propyl]-methyl-boronamidic acid Openeye Name: N-[3-[4-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propoxy]butoxy]propyl]-methyl-boronamidic acid CAS Name: N-[3-[4-[3-[[2-(5-fluoro-1H-indol-3-yl)-1-oxoethyl]amino]propoxy]butoxy]propyl]-methylboronamidic acid IUPAC Name: N-[3-[4-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propoxy]butoxy]propyl]-methylboronamidic acid Traditional Name: N-[3-[4-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propoxy]butoxy]propyl]-methyl-boronamidic acid Formula: C21H33BFN3O4 MolecularWeight: 421.313823

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NCCCOCCCCOCCCNC(=O)CC1=CNC2=C1C=C(C=C2)F)O

Isomeric SMILES

B(C)(NCCCOCCCCOCCCNC(=O)CC1=CNC2=C1C=C(C=C2)F)O

InChI

InChI=1S/C21H33BFN3O4/c1-22(28)26-9-5-13-30-11-3-2-10-29-12-4-8-24-21(27)14-17-16-25-20-7-6-18(23)15-19(17)20/h6-7,15-16,25-26,28H,2-5,8-14H2,1H3,(H,24,27)